4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline

C15H19N3 — CID 54853416

IUPAC4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline
SMILESNc1ccc(-c2cc(C3CCCCC3)[nH]n2)cc1
InChIInChI=1S/C15H19N3/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h6-11H,1-5,16H2,(H,17,18)
InChIKeyMGDFVRZHMMLLCS-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.71
Rot. Bonds2

About 4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline

4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline (PubChem CID 54853416) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline.

Molecular Properties

Compound Name4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline
PubChem CID54853416
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline
SMILESNc1ccc(-c2cc(C3CCCCC3)[nH]n2)cc1
InChIInChI=1S/C15H19N3/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h6-11H,1-5,16H2,(H,17,18)
InChIKeyMGDFVRZHMMLLCS-UHFFFAOYSA-N
XLogP3.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-cyclopropyl-1H-pyrazol-3-yl)benzoic acid
CID 122430192
1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 58097390
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
CID 18423577
[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82482333
4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridin-2-amine
CID 177382339
4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline
CID 63319227
5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole
CID 172892736
4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 11301624
(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
CID 95107377
1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine
CID 83849771
2-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidin-4-amine
CID 154337577
5-cyclohexyl-3-phenylsulfanyl-1H-pyrazole
CID 21454038

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline?
The IUPAC name of 4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline (CID 54853416) is 4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline.
What is the SMILES notation for 4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline?
The canonical SMILES for 4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline is Nc1ccc(-c2cc(C3CCCCC3)[nH]n2)cc1.
What is the InChIKey of 4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline?
The InChIKey is MGDFVRZHMMLLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h6-11H,1-5,16H2,(H,17,18).
What are the key properties of 4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline?
4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline has a molecular weight of 241.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline is sourced from PubChem (CID 54853416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).