4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C18H33N3 — CID 81012869

IUPAC4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C18H33N3/c1-15(2)14-19-11-9-16(3)13-17-10-12-21(20-17)18-7-5-4-6-8-18/h10,12,15-16,18-19H,4-9,11,13-14H2,1-3H3
InChIKeyXRQREWSCTMDYDA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.20
Rot. Bonds8

About 4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81012869) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81012869
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C18H33N3/c1-15(2)14-19-11-9-16(3)13-17-10-12-21(20-17)18-7-5-4-6-8-18/h10,12,15-16,18-19H,4-9,11,13-14H2,1-3H3
InChIKeyXRQREWSCTMDYDA-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 64778088
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81026786
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
CID 114899185
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 64778110

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 81012869) is 4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is XRQREWSCTMDYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-15(2)14-19-11-9-16(3)13-17-10-12-21(20-17)18-7-5-4-6-8-18/h10,12,15-16,18-19H,4-9,11,13-14H2,1-3H3.
What are the key properties of 4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81012869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).