1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine

C16H29N3 — CID 104987864

IUPAC1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
SMILESCCC(C)CC(N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3/c1-3-13(2)11-14(17)12-15-9-10-19(18-15)16-7-5-4-6-8-16/h9-10,13-14,16H,3-8,11-12,17H2,1-2H3
InChIKeyTZRCQJVWHDGTQP-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.69
Rot. Bonds6

About 1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine

1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine (PubChem CID 104987864) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
PubChem CID104987864
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
SMILESCCC(C)CC(N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3/c1-3-13(2)11-14(17)12-15-9-10-19(18-15)16-7-5-4-6-8-16/h9-10,13-14,16H,3-8,11-12,17H2,1-2H3
InChIKeyTZRCQJVWHDGTQP-UHFFFAOYSA-N
XLogP3.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346103
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine (CID 104987864) is 1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine is CCC(C)CC(N)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine?
The InChIKey is TZRCQJVWHDGTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-13(2)11-14(17)12-15-9-10-19(18-15)16-7-5-4-6-8-16/h9-10,13-14,16H,3-8,11-12,17H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine?
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.69, 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)-4-methylhexan-2-amine is sourced from PubChem (CID 104987864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).