4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine

C16H13Cl2N3 — CID 63525572

IUPAC4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2N3/c1-9-2-4-10(5-3-9)15-14(16(19)21-20-15)11-6-7-12(17)13(18)8-11/h2-8H,1H3,(H3,19,20,21)
InChIKeyYMICYYWDLRFJGO-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.94
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine

4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 63525572) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID63525572
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2N3/c1-9-2-4-10(5-3-9)15-14(16(19)21-20-15)11-6-7-12(17)13(18)8-11/h2-8H,1H3,(H3,19,20,21)
InChIKeyYMICYYWDLRFJGO-UHFFFAOYSA-N
XLogP4.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 575802
3-Amino-5-(4-chlorophenyl)pyrazole
CID 2735305
3-(3-chlorophenyl)-1H-pyrazol-5-amine
CID 3820802
3-(4-Chlorophenyl)-5-(p-tolyl)-1H-pyrazole
CID 11737273
4-(3-Chlorophenyl)-5-methyl-1H-pyrazol-3-amine
CID 12330558
5-(4-Chloro-phenyl)-4-m-tolylazo-2H-pyrazol-3-ylamine
CID 3146194
4-(3,4-dichlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 61992815
4-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 16637324
3-(3,4-dichlorophenyl)-4-methyl-1H-pyrazol-5-amine
CID 43157763
4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-amine hydrochloride
CID 75524987
4-(2,4-dichlorophenyl)-3-methyl-1H-pyrazol-5-amine hydrochloride
CID 122246996
5-(3,4-Dichlorophenyl)-1H-pyrazol-3-amine
CID 1489158

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine (CID 63525572) is 4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2[nH]nc(N)c2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is YMICYYWDLRFJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-9-2-4-10(5-3-9)15-14(16(19)21-20-15)11-6-7-12(17)13(18)8-11/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine?
4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 318.21 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63525572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).