2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide

C13H22N4O — CID 43783565

IUPAC2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide
SMILESCC(Nc1cnn(CC(N)=O)c1)C1CCCCC1
InChIInChI=1S/C13H22N4O/c1-10(11-5-3-2-4-6-11)16-12-7-15-17(8-12)9-13(14)18/h7-8,10-11,16H,2-6,9H2,1H3,(H2,14,18)
InChIKeyQZPHROQCMNFYSI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.75
Rot. Bonds5

About 2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide

2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide (PubChem CID 43783565) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide
PubChem CID43783565
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide
SMILESCC(Nc1cnn(CC(N)=O)c1)C1CCCCC1
InChIInChI=1S/C13H22N4O/c1-10(11-5-3-2-4-6-11)16-12-7-15-17(8-12)9-13(14)18/h7-8,10-11,16H,2-6,9H2,1H3,(H2,14,18)
InChIKeyQZPHROQCMNFYSI-UHFFFAOYSA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cycloheptylamino)pyrazol-1-yl]acetamide
CID 43695123
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
2-[4-[(1-acetylpiperidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 43783533
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132232
2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 43783600
N-cyclopropyl-2-[4-(5-methylheptan-3-ylamino)pyrazol-1-yl]acetamide
CID 60931941
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728654
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
2-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pyrazol-1-yl]acetamide
CID 43783595
1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine
CID 43543266

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide (CID 43783565) is 2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide is CC(Nc1cnn(CC(N)=O)c1)C1CCCCC1.
What is the InChIKey of 2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide?
The InChIKey is QZPHROQCMNFYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(11-5-3-2-4-6-11)16-12-7-15-17(8-12)9-13(14)18/h7-8,10-11,16H,2-6,9H2,1H3,(H2,14,18).
What are the key properties of 2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide?
2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43783565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).