N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide

C17H29N3O2 — CID 138004890

IUPACN-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(C(C)C)cc1C(=O)N(CCO)CC1CCCCC1
InChIInChI=1S/C17H29N3O2/c1-13(2)20-12-16(14(3)18-20)17(22)19(9-10-21)11-15-7-5-4-6-8-15/h12-13,15,21H,4-11H2,1-3H3
InChIKeyHGFPPMAVBCHRJB-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.79
Rot. Bonds6

About N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide

N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 138004890) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID138004890
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(C(C)C)cc1C(=O)N(CCO)CC1CCCCC1
InChIInChI=1S/C17H29N3O2/c1-13(2)20-12-16(14(3)18-20)17(22)19(9-10-21)11-15-7-5-4-6-8-15/h12-13,15,21H,4-11H2,1-3H3
InChIKeyHGFPPMAVBCHRJB-UHFFFAOYSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide (CID 138004890) is N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide is Cc1nn(C(C)C)cc1C(=O)N(CCO)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is HGFPPMAVBCHRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)20-12-16(14(3)18-20)17(22)19(9-10-21)11-15-7-5-4-6-8-15/h12-13,15,21H,4-11H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 138004890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).