5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide

C18H24FN3O2 — CID 109478350

IUPAC5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(O)c2ccccc2F)cnn1CC(C)C
InChIInChI=1S/C18H24FN3O2/c1-4-16-14(9-21-22(16)11-12(2)3)18(24)20-10-17(23)13-7-5-6-8-15(13)19/h5-9,12,17,23H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyJCCBCRRIUBJYPD-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.70
Rot. Bonds7

About 5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide

5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 109478350) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID109478350
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(O)c2ccccc2F)cnn1CC(C)C
InChIInChI=1S/C18H24FN3O2/c1-4-16-14(9-21-22(16)11-12(2)3)18(24)20-10-17(23)13-7-5-6-8-15(13)19/h5-9,12,17,23H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyJCCBCRRIUBJYPD-UHFFFAOYSA-N
XLogP2.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109468532
5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109477074
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
2-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 111566211
2-[4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109668
5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119043473
1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
CID 78892567
N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 97116423
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 72855145
5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527267
[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone
CID 124733378

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 109478350) is 5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCC(O)c2ccccc2F)cnn1CC(C)C.
What is the InChIKey of 5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is JCCBCRRIUBJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-4-16-14(9-21-22(16)11-12(2)3)18(24)20-10-17(23)13-7-5-6-8-15(13)19/h5-9,12,17,23H,4,10-11H2,1-3H3,(H,20,24).
What are the key properties of 5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 109478350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).