N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine

C17H13Cl2F2N3 — CID 66612402

IUPACN-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2ccc(F)cc2Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C17H13Cl2F2N3/c1-9-15(16-11(18)4-3-5-13(16)21)17(24(2)23-9)22-14-7-6-10(20)8-12(14)19/h3-8,22H,1-2H3
InChIKeyRXNUUCJQIFQLIM-UHFFFAOYSA-N
MW368.21 g/mol
LogP5.72
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine

N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 66612402) has the molecular formula C17H13Cl2F2N3 and a molecular weight of 368.21 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID66612402
Molecular FormulaC17H13Cl2F2N3
Molecular Weight368.21 g/mol
Exact Mass367.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2ccc(F)cc2Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C17H13Cl2F2N3/c1-9-15(16-11(18)4-3-5-13(16)21)17(24(2)23-9)22-14-7-6-10(20)8-12(14)19/h3-8,22H,1-2H3
InChIKeyRXNUUCJQIFQLIM-UHFFFAOYSA-N
XLogP5.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.21
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 66612402) is N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(Nc2ccc(F)cc2Cl)c1-c1c(F)cccc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is RXNUUCJQIFQLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2N3/c1-9-15(16-11(18)4-3-5-13(16)21)17(24(2)23-9)22-14-7-6-10(20)8-12(14)19/h3-8,22H,1-2H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 368.21 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 66612402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).