N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide

C12H19N3O2 — CID 65119924

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C12H19N3O2/c1-9-2-5-12(17,6-3-9)8-13-11(16)10-4-7-14-15-10/h4,7,9,17H,2-3,5-6,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyASQJDRJZXYFEMM-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds3

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 65119924) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID65119924
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C12H19N3O2/c1-9-2-5-12(17,6-3-9)8-13-11(16)10-4-7-14-15-10/h4,7,9,17H,2-3,5-6,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyASQJDRJZXYFEMM-UHFFFAOYSA-N
XLogP1.08
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide (CID 65119924) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide is CC1CCC(O)(CNC(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ASQJDRJZXYFEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-2-5-12(17,6-3-9)8-13-11(16)10-4-7-14-15-10/h4,7,9,17H,2-3,5-6,8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 65119924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).