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

C9H13N7O — CID 64525861

IUPAC3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc(N)n[nH]2)n[nH]1
InChIInChI=1S/C9H13N7O/c1-5-11-8(15-12-5)4-16(2)9(17)6-3-7(10)14-13-6/h3H,4H2,1-2H3,(H3,10,13,14)(H,11,12,15)
InChIKeyWFUPRPZVOQARIO-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.31
Rot. Bonds3

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

3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 64525861) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID64525861
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc(N)n[nH]2)n[nH]1
InChIInChI=1S/C9H13N7O/c1-5-11-8(15-12-5)4-16(2)9(17)6-3-7(10)14-13-6/h3H,4H2,1-2H3,(H3,10,13,14)(H,11,12,15)
InChIKeyWFUPRPZVOQARIO-UHFFFAOYSA-N
XLogP-0.31
TPSA116.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 64517177
4-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 64512374
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525434
6-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 64519300
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523095
N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103718200
3-amino-5-bromo-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107872823
5-amino-2,3-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107185298
3,6-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridazine-4-carboxamide
CID 64512743
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64523494
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523107

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (CID 64525861) is 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is Cc1nc(CN(C)C(=O)c2cc(N)n[nH]2)n[nH]1.
What is the InChIKey of 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WFUPRPZVOQARIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-5-11-8(15-12-5)4-16(2)9(17)6-3-7(10)14-13-6/h3H,4H2,1-2H3,(H3,10,13,14)(H,11,12,15).
What are the key properties of 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 235.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).