5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide

C6H10N6O2 — CID 12888207

IUPAC5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide
SMILESCc1cc(NNC(N)=O)n(C(N)=O)n1
InChIInChI=1S/C6H10N6O2/c1-3-2-4(9-10-5(7)13)12(11-3)6(8)14/h2,9H,1H3,(H2,8,14)(H3,7,10,13)
InChIKeyGTZDRHKJLWBLAI-UHFFFAOYSA-N
MW198.19 g/mol
LogP-0.89
Rot. Bonds2

About 5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide

5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide (PubChem CID 12888207) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is 5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide
PubChem CID12888207
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC Name5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide
SMILESCc1cc(NNC(N)=O)n(C(N)=O)n1
InChIInChI=1S/C6H10N6O2/c1-3-2-4(9-10-5(7)13)12(11-3)6(8)14/h2,9H,1H3,(H2,8,14)(H3,7,10,13)
InChIKeyGTZDRHKJLWBLAI-UHFFFAOYSA-N
XLogP-0.89
TPSA128.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 56972293
N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135415381
7-Methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diol
CID 136219281
4-Amino-7-Methylpyrazolo[1,5-A][1,3,5]triazin-2(1h)-One
CID 135475085
3,5-Dimethylpyrazole-1-carbohydrazide
CID 91621814
5-Amino-3-methylpyrazole-1-carboxamide
CID 296432
N'-(1,3-Dimethyl-1H-pyrazol-5-yl)formohydrazide
CID 15209668
N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide
CID 15209669
3-(Tert-butylamino)-5-methylpyrazole-1-carboxamide
CID 85564394
S-methyl N-[(2,5-dimethylpyrazol-3-yl)amino]carbamothioate
CID 134938456
1-(2,5-Dimethylpyrazol-3-yl)-3-(2,2,2-trifluoroethylcarbamoylamino)urea
CID 47069537

Frequently Asked Questions

What is the IUPAC name of 5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide?
The IUPAC name of 5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide (CID 12888207) is 5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide.
What is the SMILES notation for 5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide?
The canonical SMILES for 5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide is Cc1cc(NNC(N)=O)n(C(N)=O)n1.
What is the InChIKey of 5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide?
The InChIKey is GTZDRHKJLWBLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O2/c1-3-2-4(9-10-5(7)13)12(11-3)6(8)14/h2,9H,1H3,(H2,8,14)(H3,7,10,13).
What are the key properties of 5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide?
5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide has a molecular weight of 198.19 g/mol, XLogP of -0.89, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carbamoylhydrazinyl)-3-methylpyrazole-1-carboxamide is sourced from PubChem (CID 12888207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).