3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

C14H14N6O2 — CID 22434337

IUPAC3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2c(-n3cnnc3)n[nH]c2C)c1
InChIInChI=1S/C14H14N6O2/c1-9-12(13(19-18-9)20-7-15-16-8-20)17-14(21)10-4-3-5-11(6-10)22-2/h3-8H,1-2H3,(H,17,21)(H,18,19)
InChIKeyDJYPIMYNOKLKSA-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.56
Rot. Bonds4

About 3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide (PubChem CID 22434337) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
PubChem CID22434337
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2c(-n3cnnc3)n[nH]c2C)c1
InChIInChI=1S/C14H14N6O2/c1-9-12(13(19-18-9)20-7-15-16-8-20)17-14(21)10-4-3-5-11(6-10)22-2/h3-8H,1-2H3,(H,17,21)(H,18,19)
InChIKeyDJYPIMYNOKLKSA-UHFFFAOYSA-N
XLogP1.56
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
CID 22434324
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749076
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42685754
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 42685772
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
N-(2-amino-4,6-dimethylphenyl)-3-methoxybenzamide
CID 56773263
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate
CID 946980
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide (CID 22434337) is 3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide is COc1cccc(C(=O)Nc2c(-n3cnnc3)n[nH]c2C)c1.
What is the InChIKey of 3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is DJYPIMYNOKLKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-9-12(13(19-18-9)20-7-15-16-8-20)17-14(21)10-4-3-5-11(6-10)22-2/h3-8H,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide?
3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 298.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 22434337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).