N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

C15H11N5OS — CID 90603522

IUPACN-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ncc(C#N)s2)cnn1-c1ccccc1
InChIInChI=1S/C15H11N5OS/c1-10-13(9-18-20(10)11-5-3-2-4-6-11)14(21)19-15-17-8-12(7-16)22-15/h2-6,8-9H,1H3,(H,17,19,21)
InChIKeyYDNIOAGKABAWCS-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.76
Rot. Bonds3

About N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 90603522) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID90603522
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ncc(C#N)s2)cnn1-c1ccccc1
InChIInChI=1S/C15H11N5OS/c1-10-13(9-18-20(10)11-5-3-2-4-6-11)14(21)19-15-17-8-12(7-16)22-15/h2-6,8-9H,1H3,(H,17,19,21)
InChIKeyYDNIOAGKABAWCS-UHFFFAOYSA-N
XLogP2.76
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 90603522) is N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ncc(C#N)s2)cnn1-c1ccccc1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is YDNIOAGKABAWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-10-13(9-18-20(10)11-5-3-2-4-6-11)14(21)19-15-17-8-12(7-16)22-15/h2-6,8-9H,1H3,(H,17,19,21).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 90603522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).