3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine

C16H14ClN3 — CID 63195160

IUPAC3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C16H14ClN3/c1-11-7-8-12(9-14(11)17)15-10-16(18)20(19-15)13-5-3-2-4-6-13/h2-10H,18H2,1H3
InChIKeyNTYNNYXOMQWXLO-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.08
Rot. Bonds2

About 3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine

3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine (PubChem CID 63195160) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine
PubChem CID63195160
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C16H14ClN3/c1-11-7-8-12(9-14(11)17)15-10-16(18)20(19-15)13-5-3-2-4-6-13/h2-10H,18H2,1H3
InChIKeyNTYNNYXOMQWXLO-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine (CID 63195160) is 3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine is Cc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine?
The InChIKey is NTYNNYXOMQWXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-7-8-12(9-14(11)17)15-10-16(18)20(19-15)13-5-3-2-4-6-13/h2-10H,18H2,1H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine?
3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine has a molecular weight of 283.76 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 63195160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).