N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

C19H16ClFN4O2 — CID 8701464

IUPACN-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C19H16ClFN4O2/c1-11-17(18(20)25(24-11)16-9-3-13(21)4-10-16)19(27)23-15-7-5-14(6-8-15)22-12(2)26/h3-10H,1-2H3,(H,22,26)(H,23,27)
InChIKeyKBYMFSPXJUGVFQ-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.18
Rot. Bonds4

About N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 8701464) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
PubChem CID8701464
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC NameN-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C19H16ClFN4O2/c1-11-17(18(20)25(24-11)16-9-3-13(21)4-10-16)19(27)23-15-7-5-14(6-8-15)22-12(2)26/h3-10H,1-2H3,(H,22,26)(H,23,27)
InChIKeyKBYMFSPXJUGVFQ-UHFFFAOYSA-N
XLogP4.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9097679
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25336520
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
CID 134016397
N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
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5-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78776531
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1147396
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 41266192
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892669
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (CID 8701464) is N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is KBYMFSPXJUGVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-11-17(18(20)25(24-11)16-9-3-13(21)4-10-16)19(27)23-15-7-5-14(6-8-15)22-12(2)26/h3-10H,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 8701464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).