3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide

C13H18N6O2 — CID 155954078

IUPAC3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NC1CCc2c(nnn2C)C1
InChIInChI=1S/C13H18N6O2/c1-18-7-9(13(16-18)21-3)12(20)14-8-4-5-11-10(6-8)15-17-19(11)2/h7-8H,4-6H2,1-3H3,(H,14,20)
InChIKeyIDDFVBMPDAUAFU-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.16
Rot. Bonds3

About 3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide

3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide (PubChem CID 155954078) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide
PubChem CID155954078
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NC1CCc2c(nnn2C)C1
InChIInChI=1S/C13H18N6O2/c1-18-7-9(13(16-18)21-3)12(20)14-8-4-5-11-10(6-8)15-17-19(11)2/h7-8H,4-6H2,1-3H3,(H,14,20)
InChIKeyIDDFVBMPDAUAFU-UHFFFAOYSA-N
XLogP-0.16
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 136962376
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CID 167856488
5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide
CID 166306565
2-(4-methoxy-2-methylphenyl)-N-[(5S)-3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl]acetamide
CID 164637490
2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone
CID 129452367
2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide
CID 91632677
3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide
CID 90613755
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 91819010
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091971
3-[(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 146093274
1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide
CID 129416200

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide (CID 155954078) is 3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NC1CCc2c(nnn2C)C1.
What is the InChIKey of 3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is IDDFVBMPDAUAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-18-7-9(13(16-18)21-3)12(20)14-8-4-5-11-10(6-8)15-17-19(11)2/h7-8H,4-6H2,1-3H3,(H,14,20).
What are the key properties of 3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 290.33 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 155954078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).