N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C22H22FN5OS — CID 122264747

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCc1cc(C)n(C(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)c2cccs2)n1
InChIInChI=1S/C22H22FN5OS/c1-14-11-15(2)28(25-14)20(21-5-4-10-30-21)13-24-22(29)19-12-18(26-27(19)3)16-6-8-17(23)9-7-16/h4-12,20H,13H2,1-3H3,(H,24,29)
InChIKeyLIUSSJJOIBBTNA-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.12
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 122264747) has the molecular formula C22H22FN5OS and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID122264747
Molecular FormulaC22H22FN5OS
Molecular Weight423.52 g/mol
Exact Mass423.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCc1cc(C)n(C(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)c2cccs2)n1
InChIInChI=1S/C22H22FN5OS/c1-14-11-15(2)28(25-14)20(21-5-4-10-30-21)13-24-22(29)19-12-18(26-27(19)3)16-6-8-17(23)9-7-16/h4-12,20H,13H2,1-3H3,(H,24,29)
InChIKeyLIUSSJJOIBBTNA-UHFFFAOYSA-N
XLogP4.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-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

3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
CID 126854749
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-propan-2-ylurea
CID 122264987
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 122264717
2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 122264689
3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide
CID 122161477
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122264916
N'-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 122264923
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3,4,5-trimethoxybenzamide
CID 122264715
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzamide
CID 122244345
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 122264672
3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 122264606

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 122264747) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is Cc1cc(C)n(C(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)c2cccs2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is LIUSSJJOIBBTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5OS/c1-14-11-15(2)28(25-14)20(21-5-4-10-30-21)13-24-22(29)19-12-18(26-27(19)3)16-6-8-17(23)9-7-16/h4-12,20H,13H2,1-3H3,(H,24,29).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122264747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).