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

C16H29N3 — CID 64801633

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H29N3/c1-3-4-5-8-14(2)17-13-15-11-12-19(18-15)16-9-6-7-10-16/h11-12,14,16-17H,3-10,13H2,1-2H3
InChIKeyCQCHHJHTOIMDQP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.06
Rot. Bonds8

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

N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine (PubChem CID 64801633) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
PubChem CID64801633
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H29N3/c1-3-4-5-8-14(2)17-13-15-11-12-19(18-15)16-9-6-7-10-16/h11-12,14,16-17H,3-10,13H2,1-2H3
InChIKeyCQCHHJHTOIMDQP-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
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
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
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
6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
CID 64777007
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625592

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine (CID 64801633) is N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine is CCCCCC(C)NCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine?
The InChIKey is CQCHHJHTOIMDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-4-5-8-14(2)17-13-15-11-12-19(18-15)16-9-6-7-10-16/h11-12,14,16-17H,3-10,13H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.06, 8 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]heptan-2-amine is sourced from PubChem (CID 64801633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).