1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

C19H21N5OS — CID 20924009

IUPAC1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)c1
InChIInChI=1S/C19H21N5OS/c1-13-3-2-4-15(11-13)24-17(14-5-7-20-8-6-14)16(12-22-24)18(25)23-19-21-9-10-26-19/h2-4,9-12,14,20H,5-8H2,1H3,(H,21,23,25)
InChIKeyQCRNCIJCJHPKOR-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.36
Rot. Bonds4

About 1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 20924009) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID20924009
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)c1
InChIInChI=1S/C19H21N5OS/c1-13-3-2-4-15(11-13)24-17(14-5-7-20-8-6-14)16(12-22-24)18(25)23-19-21-9-10-26-19/h2-4,9-12,14,20H,5-8H2,1H3,(H,21,23,25)
InChIKeyQCRNCIJCJHPKOR-UHFFFAOYSA-N
XLogP3.36
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155527522
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(5-fluoro-2-pyridinyl)-3-methylpyrazole-4-carboxamide;dihydrochloride
CID 155530853
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(5-fluoro-2-pyridinyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155564707
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
CID 4880417
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 4880352
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
3-Benzoylamino-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11045566
N-methyl-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 11530187
4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714
6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 71623039
6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 145489177

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 20924009) is 1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is Cc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is QCRNCIJCJHPKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-3-2-4-15(11-13)24-17(14-5-7-20-8-6-14)16(12-22-24)18(25)23-19-21-9-10-26-19/h2-4,9-12,14,20H,5-8H2,1H3,(H,21,23,25).
What are the key properties of 1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 20924009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).