N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C21H29N3O4 — CID 176500601

IUPACN-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(OC2CCC(NC(=O)c3cc(C(C)C)[nH]n3)CC2)c1OC
InChIInChI=1S/C21H29N3O4/c1-13(2)16-12-17(24-23-16)21(25)22-14-8-10-15(11-9-14)28-19-7-5-6-18(26-3)20(19)27-4/h5-7,12-15H,8-11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyWXXRBRDXNKRZCW-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.67
Rot. Bonds7

About N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 176500601) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID176500601
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(OC2CCC(NC(=O)c3cc(C(C)C)[nH]n3)CC2)c1OC
InChIInChI=1S/C21H29N3O4/c1-13(2)16-12-17(24-23-16)21(25)22-14-8-10-15(11-9-14)28-19-7-5-6-18(26-3)20(19)27-4/h5-7,12-15H,8-11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyWXXRBRDXNKRZCW-UHFFFAOYSA-N
XLogP3.67
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-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

N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 176504888
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 125431572
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 136750123
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide
CID 91626142
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95289681
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
N-cyclopropyl-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978329
3,4-dimethoxy-5-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]benzoic acid
CID 119214201
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
6-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyridazine-3-carboxamide
CID 90633191
5-(furan-2-yl)-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-3-carboxamide
CID 90633194

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 176500601) is N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1cccc(OC2CCC(NC(=O)c3cc(C(C)C)[nH]n3)CC2)c1OC.
What is the InChIKey of N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is WXXRBRDXNKRZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-13(2)16-12-17(24-23-16)21(25)22-14-8-10-15(11-9-14)28-19-7-5-6-18(26-3)20(19)27-4/h5-7,12-15H,8-11H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 176500601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).