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

C10H13N5OS — CID 65359551

IUPAC4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2c(N)cnn2C)cs1
InChIInChI=1S/C10H13N5OS/c1-6-14-7(5-17-6)3-12-10(16)9-8(11)4-13-15(9)2/h4-5H,3,11H2,1-2H3,(H,12,16)
InChIKeyYXVFVBASQKQUEC-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.70
Rot. Bonds3

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

4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 65359551) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
PubChem CID65359551
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2c(N)cnn2C)cs1
InChIInChI=1S/C10H13N5OS/c1-6-14-7(5-17-6)3-12-10(16)9-8(11)4-13-15(9)2/h4-5H,3,11H2,1-2H3,(H,12,16)
InChIKeyYXVFVBASQKQUEC-UHFFFAOYSA-N
XLogP0.70
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 106379173
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524858
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 61282056
4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
CID 65359284
4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
CID 70115769
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
4-amino-N-[(3-bromophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65359695
5-amino-2-bromo-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55118101
2-amino-6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 55041571
3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112750831

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide (CID 65359551) is 4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide is Cc1nc(CNC(=O)c2c(N)cnn2C)cs1.
What is the InChIKey of 4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is YXVFVBASQKQUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-14-7(5-17-6)3-12-10(16)9-8(11)4-13-15(9)2/h4-5H,3,11H2,1-2H3,(H,12,16).
What are the key properties of 4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65359551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).