2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide

C12H22N4O — CID 43695034

IUPAC2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
SMILESCCCCCC(C)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C12H22N4O/c1-3-4-5-6-10(2)15-11-7-14-16(8-11)9-12(13)17/h7-8,10,15H,3-6,9H2,1-2H3,(H2,13,17)
InChIKeyPHOILPQBNLIKRB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.75
Rot. Bonds8

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

2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide (PubChem CID 43695034) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
PubChem CID43695034
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
SMILESCCCCCC(C)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C12H22N4O/c1-3-4-5-6-10(2)15-11-7-14-16(8-11)9-12(13)17/h7-8,10,15H,3-6,9H2,1-2H3,(H2,13,17)
InChIKeyPHOILPQBNLIKRB-UHFFFAOYSA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide
CID 43695320
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
CID 93104217
5-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylpentanamide
CID 104683948
2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide
CID 43575022
6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide
CID 65290605
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
N-nonan-2-yl-1-propan-2-ylpyrazol-4-amine
CID 63478238
2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 43783600
2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide
CID 43783565
N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377

Frequently Asked Questions

What is the IUPAC name of 2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide (CID 43695034) is 2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide is CCCCCC(C)Nc1cnn(CC(N)=O)c1.
What is the InChIKey of 2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide?
The InChIKey is PHOILPQBNLIKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-6-10(2)15-11-7-14-16(8-11)9-12(13)17/h7-8,10,15H,3-6,9H2,1-2H3,(H2,13,17).
What are the key properties of 2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide?
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43695034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).