N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide

C19H14ClF2N3O — CID 42685595

IUPACN-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1c(-c2cccc(Cl)c2)n[nH]c1C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C19H14ClF2N3O/c20-12-3-1-2-11(8-12)17-18(16(24-25-17)10-4-5-10)23-19(26)14-7-6-13(21)9-15(14)22/h1-3,6-10H,4-5H2,(H,23,26)(H,24,25)
InChIKeyZFAMVDDHEUJSSD-UHFFFAOYSA-N
MW373.79 g/mol
LogP5.14
Rot. Bonds4

About N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide

N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide (PubChem CID 42685595) has the molecular formula C19H14ClF2N3O and a molecular weight of 373.79 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
PubChem CID42685595
Molecular FormulaC19H14ClF2N3O
Molecular Weight373.79 g/mol
Exact Mass373.08
IUPAC NameN-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1c(-c2cccc(Cl)c2)n[nH]c1C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C19H14ClF2N3O/c20-12-3-1-2-11(8-12)17-18(16(24-25-17)10-4-5-10)23-19(26)14-7-6-13(21)9-15(14)22/h1-3,6-10H,4-5H2,(H,23,26)(H,24,25)
InChIKeyZFAMVDDHEUJSSD-UHFFFAOYSA-N
XLogP5.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.79
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42686101
1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874339
1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea
CID 42874338
(2S)-N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005130
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 42686286
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42687165
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102
4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole
CID 141270020
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide (CID 42685595) is N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide is O=C(Nc1c(-c2cccc(Cl)c2)n[nH]c1C1CC1)c1ccc(F)cc1F.
What is the InChIKey of N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
The InChIKey is ZFAMVDDHEUJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O/c20-12-3-1-2-11(8-12)17-18(16(24-25-17)10-4-5-10)23-19(26)14-7-6-13(21)9-15(14)22/h1-3,6-10H,4-5H2,(H,23,26)(H,24,25).
What are the key properties of N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide has a molecular weight of 373.79 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 42685595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).