1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide

C19H18FN5O2 — CID 31814622

IUPAC1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
SMILESCNC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c1
InChIInChI=1S/C19H18FN5O2/c1-12-17(11-22-25(12)16-8-6-13(20)7-9-16)18(26)23-14-4-3-5-15(10-14)24-19(27)21-2/h3-11H,1-2H3,(H,23,26)(H2,21,24,27)
InChIKeyISAGWSSTMVYGBH-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide (PubChem CID 31814622) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
PubChem CID31814622
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
SMILESCNC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c1
InChIInChI=1S/C19H18FN5O2/c1-12-17(11-22-25(12)16-8-6-13(20)7-9-16)18(26)23-14-4-3-5-15(10-14)24-19(27)21-2/h3-11H,1-2H3,(H,23,26)(H2,21,24,27)
InChIKeyISAGWSSTMVYGBH-UHFFFAOYSA-N
XLogP3.32
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 34453775
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N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 46481236
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 136577209
N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
N-(3,5-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18290570
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323415

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide (CID 31814622) is 1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide is CNC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide?
The InChIKey is ISAGWSSTMVYGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-12-17(11-22-25(12)16-8-6-13(20)7-9-16)18(26)23-14-4-3-5-15(10-14)24-19(27)21-2/h3-11H,1-2H3,(H,23,26)(H2,21,24,27).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 31814622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).