5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine

C17H23N3 — CID 62829434

IUPAC5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2C2CCCCCC2)cc1
InChIInChI=1S/C17H23N3/c1-12-8-10-13(11-9-12)15-16(19-20-17(15)18)14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H3,18,19,20)
InChIKeyPRVPYEAIIASAKP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.41
Rot. Bonds2

About 5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine

5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 62829434) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID62829434
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2C2CCCCCC2)cc1
InChIInChI=1S/C17H23N3/c1-12-8-10-13(11-9-12)15-16(19-20-17(15)18)14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H3,18,19,20)
InChIKeyPRVPYEAIIASAKP-UHFFFAOYSA-N
XLogP4.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopentyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829082
5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 63524691
5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524682
5-cycloheptyl-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine
CID 62586327
5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine
CID 82081179
4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 63525557
5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 65018235
4-(4-fluorophenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62907249
4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62907421
4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 62830687
4-(3,4-dimethylphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62900164
5-cycloheptyl-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 64561244

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine (CID 62829434) is 5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2c(N)n[nH]c2C2CCCCCC2)cc1.
What is the InChIKey of 5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is PRVPYEAIIASAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-8-10-13(11-9-12)15-16(19-20-17(15)18)14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H3,18,19,20).
What are the key properties of 5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine?
5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 269.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62829434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).