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

C16H14ClN3 — CID 62830136

IUPAC5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-10-6-8-11(9-7-10)14-15(19-20-16(14)18)12-4-2-3-5-13(12)17/h2-9H,1H3,(H3,18,19,20)
InChIKeyDOMVLLKAMJNTIQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.29
Rot. Bonds2

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

5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 62830136) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID62830136
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-10-6-8-11(9-7-10)14-15(19-20-16(14)18)12-4-2-3-5-13(12)17/h2-9H,1H3,(H3,18,19,20)
InChIKeyDOMVLLKAMJNTIQ-UHFFFAOYSA-N
XLogP4.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 63525572
4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 62829467
5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 81110725
5-(5-bromo-2-methylphenyl)-4-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 65308168
5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 4730439
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523799
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374
4-(2-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-amine
CID 62874646
4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine
CID 135969081
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine (CID 62830136) is 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2c(N)n[nH]c2-c2ccccc2Cl)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is DOMVLLKAMJNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10-6-8-11(9-7-10)14-15(19-20-16(14)18)12-4-2-3-5-13(12)17/h2-9H,1H3,(H3,18,19,20).
What are the key properties of 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 283.76 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62830136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).