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

C7H8N6O — CID 130942246

IUPACN-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cn[nH]n1)c1ccn[nH]1
InChIInChI=1S/C7H8N6O/c14-7(6-1-2-9-12-6)8-3-5-4-10-13-11-5/h1-2,4H,3H2,(H,8,14)(H,9,12)(H,10,11,13)
InChIKeyQKVZZRIGPOOTQV-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.54
Rot. Bonds3

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

N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 130942246) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID130942246
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC NameN-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cn[nH]n1)c1ccn[nH]1
InChIInChI=1S/C7H8N6O/c14-7(6-1-2-9-12-6)8-3-5-4-10-13-11-5/h1-2,4H,3H2,(H,8,14)(H,9,12)(H,10,11,13)
InChIKeyQKVZZRIGPOOTQV-UHFFFAOYSA-N
XLogP-0.54
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 60967720
N-[[4-(chloromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 107233397
N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 47250390
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638
N-[(4-carbamothioylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 63080309
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
N-(4-bromo-2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 114316784
2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide
CID 75512496
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228
N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide
CID 114383559
N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 131204421
N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75500880

Frequently Asked Questions

What is the IUPAC name of N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide (CID 130942246) is N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NCc1cn[nH]n1)c1ccn[nH]1.
What is the InChIKey of N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QKVZZRIGPOOTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c14-7(6-1-2-9-12-6)8-3-5-4-10-13-11-5/h1-2,4H,3H2,(H,8,14)(H,9,12)(H,10,11,13).
What are the key properties of N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide?
N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 192.18 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 130942246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).