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

C9H11N5OS — CID 62080859

IUPAC4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2n[nH]c(C)c2N)s1
InChIInChI=1S/C9H11N5OS/c1-4-3-11-9(16-4)12-8(15)7-6(10)5(2)13-14-7/h3H,10H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyRDCQMICGAHSPSO-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.32
Rot. Bonds2

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

4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 62080859) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID62080859
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2n[nH]c(C)c2N)s1
InChIInChI=1S/C9H11N5OS/c1-4-3-11-9(16-4)12-8(15)7-6(10)5(2)13-14-7/h3H,10H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyRDCQMICGAHSPSO-UHFFFAOYSA-N
XLogP1.32
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.32
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-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide (CID 62080859) is 4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide is Cc1cnc(NC(=O)c2n[nH]c(C)c2N)s1.
What is the InChIKey of 4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is RDCQMICGAHSPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-4-3-11-9(16-4)12-8(15)7-6(10)5(2)13-14-7/h3H,10H2,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 1.32, 2 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-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).