5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine

C16H15ClN4 — CID 56979538

IUPAC5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine
SMILESCc1ccc(Nc2c(N)n[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN4/c1-10-2-8-13(9-3-10)19-15-14(20-21-16(15)18)11-4-6-12(17)7-5-11/h2-9,19H,1H3,(H3,18,20,21)
InChIKeyGVVKFOHWXFKBHW-UHFFFAOYSA-N
MW298.78 g/mol
LogP4.36
Rot. Bonds3

About 5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine

5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine (PubChem CID 56979538) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine
PubChem CID56979538
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine
SMILESCc1ccc(Nc2c(N)n[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN4/c1-10-2-8-13(9-3-10)19-15-14(20-21-16(15)18)11-4-6-12(17)7-5-11/h2-9,19H,1H3,(H3,18,20,21)
InChIKeyGVVKFOHWXFKBHW-UHFFFAOYSA-N
XLogP4.36
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine
CID 56999952
5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine
CID 102020194
5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
CID 134910071
4-iodo-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 3755108
4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 63525572
5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 81110725
5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine
CID 3146194
3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
CID 23356679
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830136
4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 135505341
5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine
CID 4069133
5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523727

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine?
The IUPAC name of 5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine (CID 56979538) is 5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine?
The canonical SMILES for 5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine is Cc1ccc(Nc2c(N)n[nH]c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine?
The InChIKey is GVVKFOHWXFKBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-10-2-8-13(9-3-10)19-15-14(20-21-16(15)18)11-4-6-12(17)7-5-11/h2-9,19H,1H3,(H3,18,20,21).
What are the key properties of 5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine?
5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine has a molecular weight of 298.78 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-N-(4-methylphenyl)-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 56979538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).