N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide

C8H10N6O — CID 115610204

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
SMILESCc1[nH]nc(NC(=O)c2cn[nH]n2)c1C
InChIInChI=1S/C8H10N6O/c1-4-5(2)11-13-7(4)10-8(15)6-3-9-14-12-6/h3H,1-2H3,(H,9,12,14)(H2,10,11,13,15)
InChIKeyHEWOCGJSBOEMGW-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.40
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide (PubChem CID 115610204) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
PubChem CID115610204
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
SMILESCc1[nH]nc(NC(=O)c2cn[nH]n2)c1C
InChIInChI=1S/C8H10N6O/c1-4-5(2)11-13-7(4)10-8(15)6-3-9-14-12-6/h3H,1-2H3,(H,9,12,14)(H2,10,11,13,15)
InChIKeyHEWOCGJSBOEMGW-UHFFFAOYSA-N
XLogP0.40
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 104620121
N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide
CID 78980090
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide
CID 115610229
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 86812037
2H-triazole-4-carbohydrazide
CID 50989778
5-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 112689333
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 115594741
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide
CID 115609974

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide (CID 115610204) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide is Cc1[nH]nc(NC(=O)c2cn[nH]n2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide?
The InChIKey is HEWOCGJSBOEMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-4-5(2)11-13-7(4)10-8(15)6-3-9-14-12-6/h3H,1-2H3,(H,9,12,14)(H2,10,11,13,15).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide has a molecular weight of 206.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 115610204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).