N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine

C17H14ClF2N3 — CID 67135368

IUPACN-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2cccc(Cl)c2)c1-c1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N3/c1-10-16(14-7-6-12(19)9-15(14)20)17(23(2)22-10)21-13-5-3-4-11(18)8-13/h3-9,21H,1-2H3
InChIKeyJQUPWQOHOQFQOJ-UHFFFAOYSA-N
MW333.77 g/mol
LogP5.07
Rot. Bonds3

About N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine

N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 67135368) has the molecular formula C17H14ClF2N3 and a molecular weight of 333.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID67135368
Molecular FormulaC17H14ClF2N3
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC NameN-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2cccc(Cl)c2)c1-c1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N3/c1-10-16(14-7-6-12(19)9-15(14)20)17(23(2)22-10)21-13-5-3-4-11(18)8-13/h3-9,21H,1-2H3
InChIKeyJQUPWQOHOQFQOJ-UHFFFAOYSA-N
XLogP5.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.77
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 67135368) is N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(Nc2cccc(Cl)c2)c1-c1ccc(F)cc1F.
What is the InChIKey of N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is JQUPWQOHOQFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3/c1-10-16(14-7-6-12(19)9-15(14)20)17(23(2)22-10)21-13-5-3-4-11(18)8-13/h3-9,21H,1-2H3.
What are the key properties of N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 333.77 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 67135368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).