2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide

C13H22N4O — CID 64800668

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1ccn(C2CCCC2)n1)C(N)=O
InChIInChI=1S/C13H22N4O/c1-13(2,12(14)18)15-9-10-7-8-17(16-10)11-5-3-4-6-11/h7-8,11,15H,3-6,9H2,1-2H3,(H2,14,18)
InChIKeyITEJWROQZCQZFM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.35
Rot. Bonds5

About 2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide

2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide (PubChem CID 64800668) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
PubChem CID64800668
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1ccn(C2CCCC2)n1)C(N)=O
InChIInChI=1S/C13H22N4O/c1-13(2,12(14)18)15-9-10-7-8-17(16-10)11-5-3-4-6-11/h7-8,11,15H,3-6,9H2,1-2H3,(H2,14,18)
InChIKeyITEJWROQZCQZFM-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
2-[(1-cyclohexylpyrazol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64800330
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
CID 113349012
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide
CID 114154013
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705188
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 64800694
methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 103491885

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide (CID 64800668) is 2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide is CC(C)(NCc1ccn(C2CCCC2)n1)C(N)=O.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide?
The InChIKey is ITEJWROQZCQZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,12(14)18)15-9-10-7-8-17(16-10)11-5-3-4-6-11/h7-8,11,15H,3-6,9H2,1-2H3,(H2,14,18).
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide?
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide is sourced from PubChem (CID 64800668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).