2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide

C16H16N4OS — CID 87050273

IUPAC2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCc1csc(-c2ccc(CNC(=O)c3ccnn3C)cc2)n1
InChIInChI=1S/C16H16N4OS/c1-11-10-22-16(19-11)13-5-3-12(4-6-13)9-17-15(21)14-7-8-18-20(14)2/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyLLOYYPKSMHJHSB-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.78
Rot. Bonds4

About 2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide

2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 87050273) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID87050273
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCc1csc(-c2ccc(CNC(=O)c3ccnn3C)cc2)n1
InChIInChI=1S/C16H16N4OS/c1-11-10-22-16(19-11)13-5-3-12(4-6-13)9-17-15(21)14-7-8-18-20(14)2/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyLLOYYPKSMHJHSB-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide (CID 87050273) is 2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide is Cc1csc(-c2ccc(CNC(=O)c3ccnn3C)cc2)n1.
What is the InChIKey of 2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is LLOYYPKSMHJHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-10-22-16(19-11)13-5-3-12(4-6-13)9-17-15(21)14-7-8-18-20(14)2/h3-8,10H,9H2,1-2H3,(H,17,21).
What are the key properties of 2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide?
2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 87050273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).