N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine

C15H27N3 — CID 64799267

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H27N3/c1-3-13(4-2)16-12-14-10-11-18(17-14)15-8-6-5-7-9-15/h10-11,13,15-16H,3-9,12H2,1-2H3
InChIKeyWQNLRDURXFTUOZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.67
Rot. Bonds6

About N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine

N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine (PubChem CID 64799267) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
PubChem CID64799267
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H27N3/c1-3-13(4-2)16-12-14-10-11-18(17-14)15-8-6-5-7-9-15/h10-11,13,15-16H,3-9,12H2,1-2H3
InChIKeyWQNLRDURXFTUOZ-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
CID 64801633
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64799570
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 64801249
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 64799138
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine (CID 64799267) is N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine is CCC(CC)NCc1ccn(C2CCCCC2)n1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine?
The InChIKey is WQNLRDURXFTUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-13(4-2)16-12-14-10-11-18(17-14)15-8-6-5-7-9-15/h10-11,13,15-16H,3-9,12H2,1-2H3.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine is sourced from PubChem (CID 64799267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).