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

C17H14ClF2N3 — CID 71657864

IUPAC4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2ccccc2F)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H14ClF2N3/c1-10-16(12-8-7-11(19)9-13(12)18)17(23(2)22-10)21-15-6-4-3-5-14(15)20/h3-9,21H,1-2H3
InChIKeyBDYBSRNTPXTEGT-UHFFFAOYSA-N
MW333.77 g/mol
LogP5.07
Rot. Bonds3

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

4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 71657864) has the molecular formula C17H14ClF2N3 and a molecular weight of 333.77 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID71657864
Molecular FormulaC17H14ClF2N3
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2ccccc2F)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H14ClF2N3/c1-10-16(12-8-7-11(19)9-13(12)18)17(23(2)22-10)21-15-6-4-3-5-14(15)20/h3-9,21H,1-2H3
InChIKeyBDYBSRNTPXTEGT-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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Related Compounds

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CID 2322836
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CID 814443
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CID 2810118
CID 2810118
CID 2810694
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CID 3550085
CID 3550085
CID 692254
CID 692254
CID 2356925
CID 2356925
CID 2400956
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CID 71812974
CID 71812974
CID 71813146
CID 71813146

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 71657864) is 4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(Nc2ccccc2F)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is BDYBSRNTPXTEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3/c1-10-16(12-8-7-11(19)9-13(12)18)17(23(2)22-10)21-15-6-4-3-5-14(15)20/h3-9,21H,1-2H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-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 4-(2-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 71657864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).