1-(2-methylpropyl)-3-phenylpyrazol-5-amine

C13H17N3 — CID 43381412

IUPAC1-(2-methylpropyl)-3-phenylpyrazol-5-amine
SMILESCC(C)Cn1nc(-c2ccccc2)cc1N
InChIInChI=1S/C13H17N3/c1-10(2)9-16-13(14)8-12(15-16)11-6-4-3-5-7-11/h3-8,10H,9,14H2,1-2H3
InChIKeyZCMPZMNLZSBROL-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.79
Rot. Bonds3

About 1-(2-methylpropyl)-3-phenylpyrazol-5-amine

1-(2-methylpropyl)-3-phenylpyrazol-5-amine (PubChem CID 43381412) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-phenylpyrazol-5-amine
PubChem CID43381412
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(2-methylpropyl)-3-phenylpyrazol-5-amine
SMILESCC(C)Cn1nc(-c2ccccc2)cc1N
InChIInChI=1S/C13H17N3/c1-10(2)9-16-13(14)8-12(15-16)11-6-4-3-5-7-11/h3-8,10H,9,14H2,1-2H3
InChIKeyZCMPZMNLZSBROL-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-phenylpyrazol-5-amine?
The IUPAC name of 1-(2-methylpropyl)-3-phenylpyrazol-5-amine (CID 43381412) is 1-(2-methylpropyl)-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(2-methylpropyl)-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-(2-methylpropyl)-3-phenylpyrazol-5-amine is CC(C)Cn1nc(-c2ccccc2)cc1N.
What is the InChIKey of 1-(2-methylpropyl)-3-phenylpyrazol-5-amine?
The InChIKey is ZCMPZMNLZSBROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(2)9-16-13(14)8-12(15-16)11-6-4-3-5-7-11/h3-8,10H,9,14H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-phenylpyrazol-5-amine?
1-(2-methylpropyl)-3-phenylpyrazol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-phenylpyrazol-5-amine is sourced from PubChem (CID 43381412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).