5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C19H26N4O2 — CID 174745598

IUPAC5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(C2CCC(Cn3nc(CO)cc3C)CC2)cc1C(N)=O
InChIInChI=1S/C19H26N4O2/c1-12-7-17(11-24)22-23(12)10-14-3-5-15(6-4-14)16-8-18(19(20)25)13(2)21-9-16/h7-9,14-15,24H,3-6,10-11H2,1-2H3,(H2,20,25)
InChIKeyACCZOEBXQUZADA-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.46
Rot. Bonds5

About 5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 174745598) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID174745598
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(C2CCC(Cn3nc(CO)cc3C)CC2)cc1C(N)=O
InChIInChI=1S/C19H26N4O2/c1-12-7-17(11-24)22-23(12)10-14-3-5-15(6-4-14)16-8-18(19(20)25)13(2)21-9-16/h7-9,14-15,24H,3-6,10-11H2,1-2H3,(H2,20,25)
InChIKeyACCZOEBXQUZADA-UHFFFAOYSA-N
XLogP2.46
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide
CID 174662247
5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide
CID 174674045
1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351295
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
CID 161043600
1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one
CID 139524310
5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 123680725
5-cyclobutyl-2-(methylamino)pyridine-3-carboxamide
CID 137437719
1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351294
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 146024604
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 124926405
N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 166380011
1-(cyclopentylmethyl)-5-methylpyrazol-3-amine
CID 126975451

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 174745598) is 5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(C2CCC(Cn3nc(CO)cc3C)CC2)cc1C(N)=O.
What is the InChIKey of 5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is ACCZOEBXQUZADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-7-17(11-24)22-23(12)10-14-3-5-15(6-4-14)16-8-18(19(20)25)13(2)21-9-16/h7-9,14-15,24H,3-6,10-11H2,1-2H3,(H2,20,25).
What are the key properties of 5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 174745598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).