3-heptyl-1-phenylpyrazol-5-amine

C16H23N3 — CID 43336725

IUPAC3-heptyl-1-phenylpyrazol-5-amine
SMILESCCCCCCCc1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C16H23N3/c1-2-3-4-5-7-10-14-13-16(17)19(18-14)15-11-8-6-9-12-15/h6,8-9,11-13H,2-5,7,10,17H2,1H3
InChIKeyGLXJDHJKXQXJHQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.97
Rot. Bonds7

About 3-heptyl-1-phenylpyrazol-5-amine

3-heptyl-1-phenylpyrazol-5-amine (PubChem CID 43336725) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-heptyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-heptyl-1-phenylpyrazol-5-amine
PubChem CID43336725
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-heptyl-1-phenylpyrazol-5-amine
SMILESCCCCCCCc1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C16H23N3/c1-2-3-4-5-7-10-14-13-16(17)19(18-14)15-11-8-6-9-12-15/h6,8-9,11-13H,2-5,7,10,17H2,1H3
InChIKeyGLXJDHJKXQXJHQ-UHFFFAOYSA-N
XLogP3.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.97
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

3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
CID 82082766
3-butyl-1-pyridin-3-ylpyrazol-5-amine
CID 174520320
2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide
CID 143256407
3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine
CID 143256295
1-(4-chlorophenyl)-3-propylpyrazol-5-amine
CID 82083521
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide
CID 119890553
ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine
CID 82089365
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide;dihydrochloride
CID 119890552
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119890557
4-(5-amino-3-butylpyrazol-1-yl)-2-chlorobenzoic acid
CID 137427954
3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride
CID 71933914

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-1-phenylpyrazol-5-amine?
The IUPAC name of 3-heptyl-1-phenylpyrazol-5-amine (CID 43336725) is 3-heptyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-heptyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-heptyl-1-phenylpyrazol-5-amine is CCCCCCCc1cc(N)n(-c2ccccc2)n1.
What is the InChIKey of 3-heptyl-1-phenylpyrazol-5-amine?
The InChIKey is GLXJDHJKXQXJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-3-4-5-7-10-14-13-16(17)19(18-14)15-11-8-6-9-12-15/h6,8-9,11-13H,2-5,7,10,17H2,1H3.
What are the key properties of 3-heptyl-1-phenylpyrazol-5-amine?
3-heptyl-1-phenylpyrazol-5-amine has a molecular weight of 257.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 43336725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).