N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C21H18FN5O2 — CID 51310773

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H18FN5O2/c1-13-18(21(29)27(26(13)2)16-6-4-3-5-7-16)24-20(28)17-12-23-25-19(17)14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,25)(H,24,28)
InChIKeyXASOULDHSWOXKA-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.27
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 51310773) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID51310773
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H18FN5O2/c1-13-18(21(29)27(26(13)2)16-6-4-3-5-7-16)24-20(28)17-12-23-25-19(17)14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,25)(H,24,28)
InChIKeyXASOULDHSWOXKA-UHFFFAOYSA-N
XLogP3.27
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-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

5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide
CID 110452089
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31882555
2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786231
5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
CID 16622153
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide
CID 1043889
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea
CID 22430467
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195948
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodobenzamide
CID 39705744
2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 26003123
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-fluorophenoxy)propanamide
CID 1045739
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24664585

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 51310773) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is Cc1c(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is XASOULDHSWOXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-13-18(21(29)27(26(13)2)16-6-4-3-5-7-16)24-20(28)17-12-23-25-19(17)14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,25)(H,24,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 51310773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).