N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide

C17H18N4O2S — CID 75537668

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide
SMILESCCOc1cc(C(=O)Nc2nc(C)c(C)s2)nn1-c1ccccc1
InChIInChI=1S/C17H18N4O2S/c1-4-23-15-10-14(20-21(15)13-8-6-5-7-9-13)16(22)19-17-18-11(2)12(3)24-17/h5-10H,4H2,1-3H3,(H,18,19,22)
InChIKeyBYWCYCWNQHNLQH-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.60
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 75537668) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide
PubChem CID75537668
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide
SMILESCCOc1cc(C(=O)Nc2nc(C)c(C)s2)nn1-c1ccccc1
InChIInChI=1S/C17H18N4O2S/c1-4-23-15-10-14(20-21(15)13-8-6-5-7-9-13)16(22)19-17-18-11(2)12(3)24-17/h5-10H,4H2,1-3H3,(H,18,19,22)
InChIKeyBYWCYCWNQHNLQH-UHFFFAOYSA-N
XLogP3.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-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-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 18152907
N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55752794
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167926
5-methyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55824810
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273587
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8797532
ethyl (E)-3-anilino-2-(5-ethoxy-1-phenylpyrazol-3-yl)prop-2-enoate
CID 101384678
N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 17399707
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205846
2-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 36780097
5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 55153633
tert-butyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]-1-phenylpyrazole-5-carboxylate
CID 166216673

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide (CID 75537668) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide is CCOc1cc(C(=O)Nc2nc(C)c(C)s2)nn1-c1ccccc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is BYWCYCWNQHNLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-4-23-15-10-14(20-21(15)13-8-6-5-7-9-13)16(22)19-17-18-11(2)12(3)24-17/h5-10H,4H2,1-3H3,(H,18,19,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 75537668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).