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

C12H20N4O — CID 64800847

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
SMILESCC(NCc1ccn(C2CCCC2)n1)C(N)=O
InChIInChI=1S/C12H20N4O/c1-9(12(13)17)14-8-10-6-7-16(15-10)11-4-2-3-5-11/h6-7,9,11,14H,2-5,8H2,1H3,(H2,13,17)
InChIKeyZOEBBWVJGTUUJR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.96
Rot. Bonds5

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

2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide (PubChem CID 64800847) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
PubChem CID64800847
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
SMILESCC(NCc1ccn(C2CCCC2)n1)C(N)=O
InChIInChI=1S/C12H20N4O/c1-9(12(13)17)14-8-10-6-7-16(15-10)11-4-2-3-5-11/h6-7,9,11,14H,2-5,8H2,1H3,(H2,13,17)
InChIKeyZOEBBWVJGTUUJR-UHFFFAOYSA-N
XLogP0.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
CID 113349012
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide
CID 114154013
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 64799138
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 64801249
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
CID 64801633
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]propanamide?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide (CID 64800847) is 2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide is CC(NCc1ccn(C2CCCC2)n1)C(N)=O.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide?
The InChIKey is ZOEBBWVJGTUUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(12(13)17)14-8-10-6-7-16(15-10)11-4-2-3-5-11/h6-7,9,11,14H,2-5,8H2,1H3,(H2,13,17).
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide?
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.96, 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]propanamide is sourced from PubChem (CID 64800847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).