N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine

C13H23N3 — CID 64801770

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H23N3/c1-3-11(2)14-10-12-8-9-16(15-12)13-6-4-5-7-13/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyZJFCZMMENVLGJY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.89
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine (PubChem CID 64801770) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
PubChem CID64801770
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H23N3/c1-3-11(2)14-10-12-8-9-16(15-12)13-6-4-5-7-13/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyZJFCZMMENVLGJY-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 64801249
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
CID 64801633
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
CID 113349012
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 64799138
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625592
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine
CID 106286304
1-cyclohexyl-3-ethylpyrazole
CID 66014335

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine (CID 64801770) is N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine is CCC(C)NCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine?
The InChIKey is ZJFCZMMENVLGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11(2)14-10-12-8-9-16(15-12)13-6-4-5-7-13/h8-9,11,13-14H,3-7,10H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 64801770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).