1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine

C15H27N3 — CID 64785365

IUPAC1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
SMILESCCCC(N)CCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H27N3/c1-2-6-13(16)9-10-14-11-12-18(17-14)15-7-4-3-5-8-15/h11-13,15H,2-10,16H2,1H3
InChIKeyBWWWHIXZSOZIFU-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.45
Rot. Bonds6

About 1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine

1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine (PubChem CID 64785365) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
PubChem CID64785365
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
SMILESCCCC(N)CCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H27N3/c1-2-6-13(16)9-10-14-11-12-18(17-14)15-7-4-3-5-8-15/h11-13,15H,2-10,16H2,1H3
InChIKeyBWWWHIXZSOZIFU-UHFFFAOYSA-N
XLogP3.45
TPSA43.84 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloroheptyl)-1-cyclohexylpyrazole
CID 64778760
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64777282
3-(3-chloro-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64779835
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346103
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine
CID 64785182
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine (CID 64785365) is 1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine is CCCC(N)CCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine?
The InChIKey is BWWWHIXZSOZIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-2-6-13(16)9-10-14-11-12-18(17-14)15-7-4-3-5-8-15/h11-13,15H,2-10,16H2,1H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine?
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine is sourced from PubChem (CID 64785365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).