N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C16H13N5O2S — CID 90603685

IUPACN-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ncc(C#N)s2)n(C)n1
InChIInChI=1S/C16H13N5O2S/c1-21-13(15(22)19-16-18-9-10(8-17)24-16)7-12(20-21)11-5-3-4-6-14(11)23-2/h3-7,9H,1-2H3,(H,18,19,22)
InChIKeyFCNHGTLYHFAEEB-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.68
Rot. Bonds4

About N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 90603685) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID90603685
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ncc(C#N)s2)n(C)n1
InChIInChI=1S/C16H13N5O2S/c1-21-13(15(22)19-16-18-9-10(8-17)24-16)7-12(20-21)11-5-3-4-6-14(11)23-2/h3-7,9H,1-2H3,(H,18,19,22)
InChIKeyFCNHGTLYHFAEEB-UHFFFAOYSA-N
XLogP2.68
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90575671
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
CID 90549371
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide
CID 122302383
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 90603698
2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
CID 90603571
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105412
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42879371
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90552002
2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252461
N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 90603554
N-[5-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526603

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 90603685) is N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2ncc(C#N)s2)n(C)n1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is FCNHGTLYHFAEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-21-13(15(22)19-16-18-9-10(8-17)24-16)7-12(20-21)11-5-3-4-6-14(11)23-2/h3-7,9H,1-2H3,(H,18,19,22).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90603685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).