1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide

C21H26N6O4S — CID 90367219

IUPAC1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide
SMILESN#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C21H26N6O4S/c22-13-15-3-1-2-4-19(15)27-14-18(20(23)28)21(25-27)24-16-5-7-17(8-6-16)32(29,30)26-9-11-31-12-10-26/h5-8,14-15,19H,1-4,9-12H2,(H2,23,28)(H,24,25)/t15-,19+/m1/s1
InChIKeyRDDBDAGZMUTWPS-BEFAXECRSA-N
MW458.54 g/mol
LogP2.00
Rot. Bonds6

About 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide

1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide (PubChem CID 90367219) has the molecular formula C21H26N6O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide
PubChem CID90367219
Molecular FormulaC21H26N6O4S
Molecular Weight458.54 g/mol
Exact Mass458.17
IUPAC Name1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide
SMILESN#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C21H26N6O4S/c22-13-15-3-1-2-4-19(15)27-14-18(20(23)28)21(25-27)24-16-5-7-17(8-6-16)32(29,30)26-9-11-31-12-10-26/h5-8,14-15,19H,1-4,9-12H2,(H2,23,28)(H,24,25)/t15-,19+/m1/s1
InChIKeyRDDBDAGZMUTWPS-BEFAXECRSA-N
XLogP2.00
TPSA143.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 89470642
CID 89470642
CID 89471136
CID 89471136
CID 137633780
CID 137633780
CID 137658028
CID 137658028
CID 89471082
CID 89471082
CID 86729404
CID 86729404
CID 89462082
CID 89462082
CID 89462217
CID 89462217
CID 89462235
CID 89462235
CID 89462239
CID 89462239
CID 89462389
CID 89462389
CID 89462413
CID 89462413

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide?
The IUPAC name of 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide (CID 90367219) is 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide is N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide?
The InChIKey is RDDBDAGZMUTWPS-BEFAXECRSA-N. The full InChI is InChI=1S/C21H26N6O4S/c22-13-15-3-1-2-4-19(15)27-14-18(20(23)28)21(25-27)24-16-5-7-17(8-6-16)32(29,30)26-9-11-31-12-10-26/h5-8,14-15,19H,1-4,9-12H2,(H2,23,28)(H,24,25)/t15-,19+/m1/s1.
What are the key properties of 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide?
1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-cyanocyclohexyl]-3-(4-morpholin-4-ylsulfonylanilino)pyrazole-4-carboxamide is sourced from PubChem (CID 90367219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).