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

C16H27N3 — CID 64799126

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2ccn(C3CCCCC3)n2)CCCC1
InChIInChI=1S/C16H27N3/c1-16(10-5-6-11-16)17-13-14-9-12-19(18-14)15-7-3-2-4-8-15/h9,12,15,17H,2-8,10-11,13H2,1H3
InChIKeyKTYZCTPKGABSLU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.81
Rot. Bonds4

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

N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine (PubChem CID 64799126) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
PubChem CID64799126
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2ccn(C3CCCCC3)n2)CCCC1
InChIInChI=1S/C16H27N3/c1-16(10-5-6-11-16)17-13-14-9-12-19(18-14)15-7-3-2-4-8-15/h9,12,15,17H,2-8,10-11,13H2,1H3
InChIKeyKTYZCTPKGABSLU-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359218
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924
N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114546024
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
1-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416497
1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 64785070
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine (CID 64799126) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine is CC1(NCc2ccn(C3CCCCC3)n2)CCCC1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine?
The InChIKey is KTYZCTPKGABSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(10-5-6-11-16)17-13-14-9-12-19(18-14)15-7-3-2-4-8-15/h9,12,15,17H,2-8,10-11,13H2,1H3.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.81, 4 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]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 64799126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).