N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C20H22N4OS — CID 120600789

IUPACN-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CCN1
InChIInChI=1S/C20H22N4OS/c1-14-12-15(9-10-21-14)22-20(25)17-13-24(16-6-3-2-4-7-16)23-19(17)18-8-5-11-26-18/h2-8,11,13-15,21H,9-10,12H2,1H3,(H,22,25)
InChIKeyDPKKZKHELWQAPO-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.47
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 120600789) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID120600789
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CCN1
InChIInChI=1S/C20H22N4OS/c1-14-12-15(9-10-21-14)22-20(25)17-13-24(16-6-3-2-4-7-16)23-19(17)18-8-5-11-26-18/h2-8,11,13-15,21H,9-10,12H2,1H3,(H,22,25)
InChIKeyDPKKZKHELWQAPO-UHFFFAOYSA-N
XLogP3.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120598744
3-(4-methoxyphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120602000
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120601286
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(2,4-dioxoimidazolidin-1-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 78809218
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 78813902
1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4963779

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 120600789) is N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is CC1CC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is DPKKZKHELWQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-12-15(9-10-21-14)22-20(25)17-13-24(16-6-3-2-4-7-16)23-19(17)18-8-5-11-26-18/h2-8,11,13-15,21H,9-10,12H2,1H3,(H,22,25).
What are the key properties of N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 120600789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).