N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide

C13H21N3O2 — CID 79139213

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCC1CCCC(CO)(NC(=O)Cc2ccn[nH]2)C1
InChIInChI=1S/C13H21N3O2/c1-10-3-2-5-13(8-10,9-17)15-12(18)7-11-4-6-14-16-11/h4,6,10,17H,2-3,5,7-9H2,1H3,(H,14,16)(H,15,18)
InChIKeyLZAUVHFOIZFWLJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.01
Rot. Bonds4

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 79139213) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID79139213
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCC1CCCC(CO)(NC(=O)Cc2ccn[nH]2)C1
InChIInChI=1S/C13H21N3O2/c1-10-3-2-5-13(8-10,9-17)15-12(18)7-11-4-6-14-16-11/h4,6,10,17H,2-3,5,7-9H2,1H3,(H,14,16)(H,15,18)
InChIKeyLZAUVHFOIZFWLJ-UHFFFAOYSA-N
XLogP1.01
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide
CID 62526838
1-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 79139388
N-[1-(chloromethyl)-3-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 114303998
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenoxy)acetamide
CID 62527385
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
CID 62527367
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 62527893
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62525635
6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide
CID 62526158
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 63022352
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide (CID 79139213) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide is CC1CCCC(CO)(NC(=O)Cc2ccn[nH]2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is LZAUVHFOIZFWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-3-2-5-13(8-10,9-17)15-12(18)7-11-4-6-14-16-11/h4,6,10,17H,2-3,5,7-9H2,1H3,(H,14,16)(H,15,18).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 79139213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).