4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide

C9H11N5OS — CID 62082310

IUPAC4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCc2nccs2)c1N
InChIInChI=1S/C9H11N5OS/c1-5-7(10)8(14-13-5)9(15)12-4-6-11-2-3-16-6/h2-3H,4,10H2,1H3,(H,12,15)(H,13,14)
InChIKeyDSXYITBRCLBYAX-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.69
Rot. Bonds3

About 4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62082310) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID62082310
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCc2nccs2)c1N
InChIInChI=1S/C9H11N5OS/c1-5-7(10)8(14-13-5)9(15)12-4-6-11-2-3-16-6/h2-3H,4,10H2,1H3,(H,12,15)(H,13,14)
InChIKeyDSXYITBRCLBYAX-UHFFFAOYSA-N
XLogP0.69
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 62082310) is 4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCc2nccs2)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DSXYITBRCLBYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-7(10)8(14-13-5)9(15)12-4-6-11-2-3-16-6/h2-3H,4,10H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).