5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide

C7H9N7O — CID 63934294

IUPAC5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C7H9N7O/c1-4-5(2-9-10-4)7(15)8-3-6-11-13-14-12-6/h2H,3H2,1H3,(H,8,15)(H,9,10)(H,11,12,13,14)
InChIKeyYWHJVMZILHPDJA-UHFFFAOYSA-N
MW207.20 g/mol
LogP-0.84
Rot. Bonds3

About 5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide

5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 63934294) has the molecular formula C7H9N7O and a molecular weight of 207.20 g/mol. Its IUPAC name is 5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID63934294
Molecular FormulaC7H9N7O
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C7H9N7O/c1-4-5(2-9-10-4)7(15)8-3-6-11-13-14-12-6/h2H,3H2,1H3,(H,8,15)(H,9,10)(H,11,12,13,14)
InChIKeyYWHJVMZILHPDJA-UHFFFAOYSA-N
XLogP-0.84
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042461
2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 103854330
4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112702660
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82816611
N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 61066667
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 82873476
N-(3-iodopropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114504025
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827
5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 62307907
1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106771195

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide (CID 63934294) is 5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCc1nn[nH]n1.
What is the InChIKey of 5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is YWHJVMZILHPDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O/c1-4-5(2-9-10-4)7(15)8-3-6-11-13-14-12-6/h2H,3H2,1H3,(H,8,15)(H,9,10)(H,11,12,13,14).
What are the key properties of 5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide?
5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 207.20 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63934294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).