3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide

C16H19FN4O2 — CID 154735938

IUPAC3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
SMILESCCC1(O)CN(C(=O)Nc2cnn(-c3ccccc3F)c2C)C1
InChIInChI=1S/C16H19FN4O2/c1-3-16(23)9-20(10-16)15(22)19-13-8-18-21(11(13)2)14-7-5-4-6-12(14)17/h4-8,23H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyBMWKETKONFMHSB-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.31
Rot. Bonds3

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

3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide (PubChem CID 154735938) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
PubChem CID154735938
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
SMILESCCC1(O)CN(C(=O)Nc2cnn(-c3ccccc3F)c2C)C1
InChIInChI=1S/C16H19FN4O2/c1-3-16(23)9-20(10-16)15(22)19-13-8-18-21(11(13)2)14-7-5-4-6-12(14)17/h4-8,23H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyBMWKETKONFMHSB-UHFFFAOYSA-N
XLogP2.31
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-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

1-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122087350
(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
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide
CID 119044099
4-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122087341
1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea
CID 122150700
5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide
CID 99626490
(2S,3S)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-methyloxane-3-carboxamide
CID 129400162
4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide
CID 99581597
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843
(2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 99616440
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine
CID 133387431

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide (CID 154735938) is 3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide is CCC1(O)CN(C(=O)Nc2cnn(-c3ccccc3F)c2C)C1.
What is the InChIKey of 3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide?
The InChIKey is BMWKETKONFMHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-3-16(23)9-20(10-16)15(22)19-13-8-18-21(11(13)2)14-7-5-4-6-12(14)17/h4-8,23H,3,9-10H2,1-2H3,(H,19,22).
What are the key properties of 3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide?
3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide is sourced from PubChem (CID 154735938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).