1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine

C18H19N3 — CID 2434766

IUPAC1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine
SMILESCc1cc(C)c(-c2cc(N)n(-c3ccccc3)n2)cc1C
InChIInChI=1S/C18H19N3/c1-12-9-14(3)16(10-13(12)2)17-11-18(19)21(20-17)15-7-5-4-6-8-15/h4-11H,19H2,1-3H3
InChIKeyNJKZHIVNAOXSHK-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.05
Rot. Bonds2

About 1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine

1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine (PubChem CID 2434766) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine
PubChem CID2434766
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine
SMILESCc1cc(C)c(-c2cc(N)n(-c3ccccc3)n2)cc1C
InChIInChI=1S/C18H19N3/c1-12-9-14(3)16(10-13(12)2)17-11-18(19)21(20-17)15-7-5-4-6-8-15/h4-11H,19H2,1-3H3
InChIKeyNJKZHIVNAOXSHK-UHFFFAOYSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine?
The IUPAC name of 1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine (CID 2434766) is 1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine is Cc1cc(C)c(-c2cc(N)n(-c3ccccc3)n2)cc1C.
What is the InChIKey of 1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine?
The InChIKey is NJKZHIVNAOXSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-9-14(3)16(10-13(12)2)17-11-18(19)21(20-17)15-7-5-4-6-8-15/h4-11H,19H2,1-3H3.
What are the key properties of 1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine?
1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine has a molecular weight of 277.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine is sourced from PubChem (CID 2434766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).