4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide

C11H15N5OS — CID 66123800

IUPAC4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide
SMILESCc1csc(CNC(=O)c2c(N)c(C)nn2C)n1
InChIInChI=1S/C11H15N5OS/c1-6-5-18-8(14-6)4-13-11(17)10-9(12)7(2)15-16(10)3/h5H,4,12H2,1-3H3,(H,13,17)
InChIKeyOPMYBVOGQODUJH-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.01
Rot. Bonds3

About 4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide

4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide (PubChem CID 66123800) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide
PubChem CID66123800
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide
SMILESCc1csc(CNC(=O)c2c(N)c(C)nn2C)n1
InChIInChI=1S/C11H15N5OS/c1-6-5-18-8(14-6)4-13-11(17)10-9(12)7(2)15-16(10)3/h5H,4,12H2,1-3H3,(H,13,17)
InChIKeyOPMYBVOGQODUJH-UHFFFAOYSA-N
XLogP1.01
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide (CID 66123800) is 4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide is Cc1csc(CNC(=O)c2c(N)c(C)nn2C)n1.
What is the InChIKey of 4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is OPMYBVOGQODUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-6-5-18-8(14-6)4-13-11(17)10-9(12)7(2)15-16(10)3/h5H,4,12H2,1-3H3,(H,13,17).
What are the key properties of 4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide?
4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66123800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).