N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine

C18H19N3 — CID 55923444

IUPACN-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine
SMILESCc1ccc(C)c(CNc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C18H19N3/c1-14-8-9-15(2)16(12-14)13-19-18-10-11-21(20-18)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeySNPUACASJGFNAH-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.10
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine

N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine (PubChem CID 55923444) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine
PubChem CID55923444
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine
SMILESCc1ccc(C)c(CNc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C18H19N3/c1-14-8-9-15(2)16(12-14)13-19-18-10-11-21(20-18)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeySNPUACASJGFNAH-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine (CID 55923444) is N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine is Cc1ccc(C)c(CNc2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine?
The InChIKey is SNPUACASJGFNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14-8-9-15(2)16(12-14)13-19-18-10-11-21(20-18)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine?
N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine has a molecular weight of 277.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-1-phenylpyrazol-3-amine is sourced from PubChem (CID 55923444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).