1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide

C23H18FN5O2 — CID 47882488

IUPAC1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H18FN5O2/c24-16-5-4-8-20(15-16)29-14-13-21(28-29)22(30)25-18-9-11-19(12-10-18)27-23(31)26-17-6-2-1-3-7-17/h1-15H,(H,25,30)(H2,26,27,31)
InChIKeyAGSZTOLNWFKWSW-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.91
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide (PubChem CID 47882488) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
PubChem CID47882488
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H18FN5O2/c24-16-5-4-8-20(15-16)29-14-13-21(28-29)22(30)25-18-9-11-19(12-10-18)27-23(31)26-17-6-2-1-3-7-17/h1-15H,(H,25,30)(H2,26,27,31)
InChIKeyAGSZTOLNWFKWSW-UHFFFAOYSA-N
XLogP4.91
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882197
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 49168620
1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide
CID 166405448
1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 47852920
1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47849771
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 47028819
N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 154857565
1-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 38764020
1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 75417973
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47896374
N-(3-fluorophenyl)-1-indolizin-3-ylpyrazole-3-carboxamide
CID 97362048

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide (CID 47882488) is 1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The InChIKey is AGSZTOLNWFKWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-16-5-4-8-20(15-16)29-14-13-21(28-29)22(30)25-18-9-11-19(12-10-18)27-23(31)26-17-6-2-1-3-7-17/h1-15H,(H,25,30)(H2,26,27,31).
What are the key properties of 1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 47882488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).