3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide

C7H8N6O — CID 175923694

IUPAC3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide
SMILESCn1nncc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C7H8N6O/c1-13-5(4-9-12-13)7(14)10-6-2-3-8-11-6/h2-4H,1H3,(H2,8,10,11,14)
InChIKeyBLXQLXOGOJIWCY-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.21
Rot. Bonds2

About 3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide

3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide (PubChem CID 175923694) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide
PubChem CID175923694
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide
SMILESCn1nncc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C7H8N6O/c1-13-5(4-9-12-13)7(14)10-6-2-3-8-11-6/h2-4H,1H3,(H2,8,10,11,14)
InChIKeyBLXQLXOGOJIWCY-UHFFFAOYSA-N
XLogP-0.21
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 170951861
2-(2-hydroxyethyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 175923670
1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61394373
1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61393253
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 169142669
3-methyltriazole-4-carbonyl chloride
CID 119095890
N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide
CID 78980090
3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide
CID 136539853
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
4-fluoro-2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103829854
3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103956763

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide (CID 175923694) is 3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide is Cn1nncc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide?
The InChIKey is BLXQLXOGOJIWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c1-13-5(4-9-12-13)7(14)10-6-2-3-8-11-6/h2-4H,1H3,(H2,8,10,11,14).
What are the key properties of 3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide?
3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide has a molecular weight of 192.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide is sourced from PubChem (CID 175923694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).