5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine

C17H16ClN3 — CID 81316434

IUPAC5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc(Cl)cc(-c2[nH]nc(N)c2-c2ccccc2C)c1
InChIInChI=1S/C17H16ClN3/c1-10-7-12(9-13(18)8-10)16-15(17(19)21-20-16)14-6-4-3-5-11(14)2/h3-9H,1-2H3,(H3,19,20,21)
InChIKeyOPLGUDAVEIJVOE-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.60
Rot. Bonds2

About 5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine

5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 81316434) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
PubChem CID81316434
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc(Cl)cc(-c2[nH]nc(N)c2-c2ccccc2C)c1
InChIInChI=1S/C17H16ClN3/c1-10-7-12(9-13(18)8-10)16-15(17(19)21-20-16)14-6-4-3-5-11(14)2/h3-9H,1-2H3,(H3,19,20,21)
InChIKeyOPLGUDAVEIJVOE-UHFFFAOYSA-N
XLogP4.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromophenyl)-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 62831030
5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 104785937
5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 81322945
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 62648782
5-(4,5-dimethylthiophen-2-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 65238808
5-(5-bromo-2-methylphenyl)-4-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 65308168
5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107955079
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830136
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626
5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107962560

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (CID 81316434) is 5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is Cc1cc(Cl)cc(-c2[nH]nc(N)c2-c2ccccc2C)c1.
What is the InChIKey of 5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is OPLGUDAVEIJVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-10-7-12(9-13(18)8-10)16-15(17(19)21-20-16)14-6-4-3-5-11(14)2/h3-9H,1-2H3,(H3,19,20,21).
What are the key properties of 5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 297.79 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81316434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).