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

C16H27N3 — CID 64783322

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1(N)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H27N3/c1-13-6-4-5-10-16(13,17)12-14-9-11-19(18-14)15-7-2-3-8-15/h9,11,13,15H,2-8,10,12,17H2,1H3
InChIKeyPGCFSGFJIZSRJV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds3

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

1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 64783322) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
PubChem CID64783322
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1(N)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H27N3/c1-13-6-4-5-10-16(13,17)12-14-9-11-19(18-14)15-7-2-3-8-15/h9,11,13,15H,2-8,10,12,17H2,1H3
InChIKeyPGCFSGFJIZSRJV-UHFFFAOYSA-N
XLogP3.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 64785070
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine
CID 64784480
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852504
2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420740
[3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114533961
2-[(1-cyclohexylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65421395
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine
CID 64783907
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863268

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine (CID 64783322) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine is CC1CCCCC1(N)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is PGCFSGFJIZSRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-6-4-5-10-16(13,17)12-14-9-11-19(18-14)15-7-2-3-8-15/h9,11,13,15H,2-8,10,12,17H2,1H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 64783322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).