N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride

C86H120ClN13O12 — CID 159230686

IUPACN-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride
SMILESC=C[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C2CCCC2)n1.C=C[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C2CCCC2C)n1.COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCC(C)C1C.Cl
InChIInChI=1S/C33H49N5O4.C27H36N4O4.C26H34N4O4.ClH/c1-22-14-15-27(23(22)2)38-28(32-29(41-3)12-9-13-30(32)42-4)21-26(36-38)33(40)35-25(16-19-37-17-6-5-7-18-37)20-31(39)34-24-10-8-11-24;1-5-18(15-25(32)28-19-10-7-11-19)29-27(33)20-16-22(31(30-20)21-12-6-9-17(21)2)26-23(34-3)13-8-14-24(26)35-4;1-4-17(15-24(31)27-18-9-7-10-18)28-26(32)20-16-21(30(29-20)19-11-5-6-12-19)25-22(33-2)13-8-14-23(25)34-3;/h9,12-13,21-25,27H,5-8,10-11,14-20H2,1-4H3,(H,34,39)(H,35,40);5,8,13-14,16-19,21H,1,6-7,9-12,15H2,2-4H3,(H,28,32)(H,29,33);4,8,13-14,16-19H,1,5-7,9-12,15H2,2-3H3,(H,27,31)(H,28,32);1H/t22?,23?,25-,27?;17?,18-,21?;17-;/m000./s1
InChIKeyMNADTIKTENJVSQ-HNBOXUTHSA-N
MW1563.44 g/mol
LogP13.93
Rot. Bonds32

About N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride

N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 159230686) has the molecular formula C86H120ClN13O12 and a molecular weight of 1563.44 g/mol. Its IUPAC name is N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID159230686
Molecular FormulaC86H120ClN13O12
Molecular Weight1563.44 g/mol
Exact Mass1561.89
IUPAC NameN-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride
SMILESC=C[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C2CCCC2)n1.C=C[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C2CCCC2C)n1.COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCC(C)C1C.Cl
InChIInChI=1S/C33H49N5O4.C27H36N4O4.C26H34N4O4.ClH/c1-22-14-15-27(23(22)2)38-28(32-29(41-3)12-9-13-30(32)42-4)21-26(36-38)33(40)35-25(16-19-37-17-6-5-7-18-37)20-31(39)34-24-10-8-11-24;1-5-18(15-25(32)28-19-10-7-11-19)29-27(33)20-16-22(31(30-20)21-12-6-9-17(21)2)26-23(34-3)13-8-14-24(26)35-4;1-4-17(15-24(31)27-18-9-7-10-18)28-26(32)20-16-21(30(29-20)19-11-5-6-12-19)25-22(33-2)13-8-14-23(25)34-3;/h9,12-13,21-25,27H,5-8,10-11,14-20H2,1-4H3,(H,34,39)(H,35,40);5,8,13-14,16-19,21H,1,6-7,9-12,15H2,2-4H3,(H,28,32)(H,29,33);4,8,13-14,16-19H,1,5-7,9-12,15H2,2-3H3,(H,27,31)(H,28,32);1H/t22?,23?,25-,27?;17?,18-,21?;17-;/m000./s1
InChIKeyMNADTIKTENJVSQ-HNBOXUTHSA-N
XLogP13.93
TPSA286.68 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001563.44
LogP ≤ 513.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride (CID 159230686) is N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride is C=C[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C2CCCC2)n1.C=C[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C2CCCC2C)n1.COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCC(C)C1C.Cl.
What is the InChIKey of N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is MNADTIKTENJVSQ-HNBOXUTHSA-N. The full InChI is InChI=1S/C33H49N5O4.C27H36N4O4.C26H34N4O4.ClH/c1-22-14-15-27(23(22)2)38-28(32-29(41-3)12-9-13-30(32)42-4)21-26(36-38)33(40)35-25(16-19-37-17-6-5-7-18-37)20-31(39)34-24-10-8-11-24;1-5-18(15-25(32)28-19-10-7-11-19)29-27(33)20-16-22(31(30-20)21-12-6-9-17(21)2)26-23(34-3)13-8-14-24(26)35-4;1-4-17(15-24(31)27-18-9-7-10-18)28-26(32)20-16-21(30(29-20)19-11-5-6-12-19)25-22(33-2)13-8-14-23(25)34-3;/h9,12-13,21-25,27H,5-8,10-11,14-20H2,1-4H3,(H,34,39)(H,35,40);5,8,13-14,16-19,21H,1,6-7,9-12,15H2,2-4H3,(H,28,32)(H,29,33);4,8,13-14,16-19H,1,5-7,9-12,15H2,2-3H3,(H,27,31)(H,28,32);1H/t22?,23?,25-,27?;17?,18-,21?;17-;/m000./s1.
What are the key properties of N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride?
N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 1563.44 g/mol, XLogP of 13.93, 32 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 159230686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).