4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide

C21H16F2N4O — CID 99581597

IUPAC4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide
SMILESCc1c(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cnn1-c1ccccc1F
InChIInChI=1S/C21H16F2N4O/c1-13-19(12-25-27(13)20-5-3-2-4-18(20)23)26-21(28)17-11-24-10-16(17)14-6-8-15(22)9-7-14/h2-12,24H,1H3,(H,26,28)
InChIKeyDMFHPVRKZPRKDT-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.71
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide

4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide (PubChem CID 99581597) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide
PubChem CID99581597
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide
SMILESCc1c(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cnn1-c1ccccc1F
InChIInChI=1S/C21H16F2N4O/c1-13-19(12-25-27(13)20-5-3-2-4-18(20)23)26-21(28)17-11-24-10-16(17)14-6-8-15(22)9-7-14/h2-12,24H,1H3,(H,26,28)
InChIKeyDMFHPVRKZPRKDT-UHFFFAOYSA-N
XLogP4.71
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide
CID 99626490
(3aR,6aR)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
CID 128618290
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 134026230
1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea
CID 122150700
1-(2-fluorophenyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 55520761
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
4-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122087341
3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
CID 154735938
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide
CID 119044099

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide (CID 99581597) is 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide is Cc1c(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cnn1-c1ccccc1F.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is DMFHPVRKZPRKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c1-13-19(12-25-27(13)20-5-3-2-4-18(20)23)26-21(28)17-11-24-10-16(17)14-6-8-15(22)9-7-14/h2-12,24H,1H3,(H,26,28).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide?
4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 99581597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).