5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide

C19H26FN3O — CID 42820286

IUPAC5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(C)C)c(C(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O/c1-6-16-17(19(24)21-11-12(2)3)18(13(4)5)22-23(16)15-9-7-14(20)8-10-15/h7-10,12-13H,6,11H2,1-5H3,(H,21,24)
InChIKeyBQARILMXDXENNI-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.08
Rot. Bonds6

About 5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42820286) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
PubChem CID42820286
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(C)C)c(C(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O/c1-6-16-17(19(24)21-11-12(2)3)18(13(4)5)22-23(16)15-9-7-14(20)8-10-15/h7-10,12-13H,6,11H2,1-5H3,(H,21,24)
InChIKeyBQARILMXDXENNI-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-(4-fluorophenyl)-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42820288
5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
CID 42820321
5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide
CID 42820458
5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide
CID 42820294
5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42818350
2-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119252730
1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid
CID 42819828
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820483
1-(4-fluorophenyl)-N-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 812253
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 51309815
1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 24712291

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide (CID 42820286) is 5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)NCC(C)C)c(C(C)C)nn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is BQARILMXDXENNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-6-16-17(19(24)21-11-12(2)3)18(13(4)5)22-23(16)15-9-7-14(20)8-10-15/h7-10,12-13H,6,11H2,1-5H3,(H,21,24).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42820286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).