1-butyl-3-(2-methylphenyl)pyrazol-5-amine

C14H19N3 — CID 61270915

IUPAC1-butyl-3-(2-methylphenyl)pyrazol-5-amine
SMILESCCCCn1nc(-c2ccccc2C)cc1N
InChIInChI=1S/C14H19N3/c1-3-4-9-17-14(15)10-13(16-17)12-8-6-5-7-11(12)2/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyDGZLYQZQGJWNCD-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.24
Rot. Bonds4

About 1-butyl-3-(2-methylphenyl)pyrazol-5-amine

1-butyl-3-(2-methylphenyl)pyrazol-5-amine (PubChem CID 61270915) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-butyl-3-(2-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-butyl-3-(2-methylphenyl)pyrazol-5-amine
PubChem CID61270915
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-butyl-3-(2-methylphenyl)pyrazol-5-amine
SMILESCCCCn1nc(-c2ccccc2C)cc1N
InChIInChI=1S/C14H19N3/c1-3-4-9-17-14(15)10-13(16-17)12-8-6-5-7-11(12)2/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyDGZLYQZQGJWNCD-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-butyl-3-(2-methylphenyl)pyrazol-5-amine (CID 61270915) is 1-butyl-3-(2-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-butyl-3-(2-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-butyl-3-(2-methylphenyl)pyrazol-5-amine is CCCCn1nc(-c2ccccc2C)cc1N.
What is the InChIKey of 1-butyl-3-(2-methylphenyl)pyrazol-5-amine?
The InChIKey is DGZLYQZQGJWNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-4-9-17-14(15)10-13(16-17)12-8-6-5-7-11(12)2/h5-8,10H,3-4,9,15H2,1-2H3.
What are the key properties of 1-butyl-3-(2-methylphenyl)pyrazol-5-amine?
1-butyl-3-(2-methylphenyl)pyrazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 61270915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).