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

C15H10ClF2N3 — CID 64558550

IUPAC5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(Cl)c2)c1-c1ccc(F)cc1F
InChIInChI=1S/C15H10ClF2N3/c16-9-3-1-2-8(6-9)14-13(15(19)21-20-14)11-5-4-10(17)7-12(11)18/h1-7H,(H3,19,20,21)
InChIKeySPWRGUPPSZEOAU-UHFFFAOYSA-N
MW305.72 g/mol
LogP4.26
Rot. Bonds2

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

5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine (PubChem CID 64558550) has the molecular formula C15H10ClF2N3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
PubChem CID64558550
Molecular FormulaC15H10ClF2N3
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(Cl)c2)c1-c1ccc(F)cc1F
InChIInChI=1S/C15H10ClF2N3/c16-9-3-1-2-8(6-9)14-13(15(19)21-20-14)11-5-4-10(17)7-12(11)18/h1-7H,(H3,19,20,21)
InChIKeySPWRGUPPSZEOAU-UHFFFAOYSA-N
XLogP4.26
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
4-(3-chlorophenyl)-5-(2,3-difluorophenyl)-1H-pyrazol-3-amine
CID 62648934
5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 107962721
5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63524514
5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62828722
5-(3-bromo-5-chlorophenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 107955102
4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79803023
5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 64560666
5-(4,5-dibromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 80535112
4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine
CID 65238813
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine (CID 64558550) is 5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cccc(Cl)c2)c1-c1ccc(F)cc1F.
What is the InChIKey of 5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is SPWRGUPPSZEOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3/c16-9-3-1-2-8(6-9)14-13(15(19)21-20-14)11-5-4-10(17)7-12(11)18/h1-7H,(H3,19,20,21).
What are the key properties of 5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 305.72 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 64558550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).