N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

C15H18FN3O2 — CID 138034558

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(=O)NCC(C)(C)c2cccc(F)c2)cc1=O
InChIInChI=1S/C15H18FN3O2/c1-15(2,10-5-4-6-11(16)7-10)9-17-14(21)12-8-13(20)19(3)18-12/h4-8,18H,9H2,1-3H3,(H,17,21)
InChIKeyWTZPXZQOCUWSQY-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 138034558) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID138034558
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(=O)NCC(C)(C)c2cccc(F)c2)cc1=O
InChIInChI=1S/C15H18FN3O2/c1-15(2,10-5-4-6-11(16)7-10)9-17-14(21)12-8-13(20)19(3)18-12/h4-8,18H,9H2,1-3H3,(H,17,21)
InChIKeyWTZPXZQOCUWSQY-UHFFFAOYSA-N
XLogP1.56
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-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-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide
CID 46975029
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
3-tert-butyl-1-[(4-fluorophenyl)methyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]pyrazole-5-carboxamide
CID 155986695
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159147
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide
CID 46951950
1-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111625602
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (CID 138034558) is N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is Cn1[nH]c(C(=O)NCC(C)(C)c2cccc(F)c2)cc1=O.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is WTZPXZQOCUWSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-15(2,10-5-4-6-11(16)7-10)9-17-14(21)12-8-13(20)19(3)18-12/h4-8,18H,9H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 138034558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).