2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide

C21H25N3OS — CID 60619872

IUPAC2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC(c1ccc(C(C)C)cc1)c1cccs1
InChIInChI=1S/C21H25N3OS/c1-5-24-18(13-15(4)23-24)21(25)22-20(19-7-6-12-26-19)17-10-8-16(9-11-17)14(2)3/h6-14,20H,5H2,1-4H3,(H,22,25)
InChIKeyVGFMEJBRBIJNIS-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.92
Rot. Bonds6

About 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide (PubChem CID 60619872) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide
PubChem CID60619872
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC(c1ccc(C(C)C)cc1)c1cccs1
InChIInChI=1S/C21H25N3OS/c1-5-24-18(13-15(4)23-24)21(25)22-20(19-7-6-12-26-19)17-10-8-16(9-11-17)14(2)3/h6-14,20H,5H2,1-4H3,(H,22,25)
InChIKeyVGFMEJBRBIJNIS-UHFFFAOYSA-N
XLogP4.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-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-butyl-6-oxo-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyridazine-3-carboxamide
CID 55416398
2-ethyl-5-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 71983834
3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
N-(2-chloro-1-phenylethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114300222
N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
CID 30406600
2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
CID 96539646
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide
CID 60572383
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 8854525
2-ethyl-N-(1-iodo-3-methylbutan-2-yl)-5-methylpyrazole-3-carboxamide
CID 107860041
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110931263

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide (CID 60619872) is 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC(c1ccc(C(C)C)cc1)c1cccs1.
What is the InChIKey of 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide?
The InChIKey is VGFMEJBRBIJNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-5-24-18(13-15(4)23-24)21(25)22-20(19-7-6-12-26-19)17-10-8-16(9-11-17)14(2)3/h6-14,20H,5H2,1-4H3,(H,22,25).
What are the key properties of 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 60619872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).