ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate

C15H16FN3O3 — CID 843011

IUPACethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccc(C)c(F)c2)nn1C
InChIInChI=1S/C15H16FN3O3/c1-4-22-15(21)13-8-12(18-19(13)3)14(20)17-10-6-5-9(2)11(16)7-10/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyUKQLGLHFSQPKFO-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.30
Rot. Bonds4

About ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate

ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate (PubChem CID 843011) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
PubChem CID843011
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Nameethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccc(C)c(F)c2)nn1C
InChIInChI=1S/C15H16FN3O3/c1-4-22-15(21)13-8-12(18-19(13)3)14(20)17-10-6-5-9(2)11(16)7-10/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyUKQLGLHFSQPKFO-UHFFFAOYSA-N
XLogP2.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate 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

ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267096
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 5303442
ethyl 3-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267124
ethyl 1-methyl-3-(octadecylcarbamoyl)pyrazole-5-carboxylate
CID 19266999
ethyl 3-(butan-2-ylcarbamoyl)-1-methylpyrazole-5-carboxylate
CID 19267074
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxobutan-2-yl]-N-(3-fluoro-4-methylphenyl)pyrazole-3-carboxamide
CID 29097915

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate (CID 843011) is ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate is CCOC(=O)c1cc(C(=O)Nc2ccc(C)c(F)c2)nn1C.
What is the InChIKey of ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate?
The InChIKey is UKQLGLHFSQPKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-4-22-15(21)13-8-12(18-19(13)3)14(20)17-10-6-5-9(2)11(16)7-10/h5-8H,4H2,1-3H3,(H,17,20).
What are the key properties of ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate?
ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate has a molecular weight of 305.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 843011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).