N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide

C16H18N6O3 — CID 46249593

IUPACN-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(-n3cnnc3)nn(C)c2C)cc1OC
InChIInChI=1S/C16H18N6O3/c1-10-14(15(20-21(10)2)22-8-17-18-9-22)19-16(23)11-5-6-12(24-3)13(7-11)25-4/h5-9H,1-4H3,(H,19,23)
InChIKeyINKSSPWIOJBEGO-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.58
Rot. Bonds5

About N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide

N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide (PubChem CID 46249593) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide
PubChem CID46249593
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC NameN-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(-n3cnnc3)nn(C)c2C)cc1OC
InChIInChI=1S/C16H18N6O3/c1-10-14(15(20-21(10)2)22-8-17-18-9-22)19-16(23)11-5-6-12(24-3)13(7-11)25-4/h5-9H,1-4H3,(H,19,23)
InChIKeyINKSSPWIOJBEGO-UHFFFAOYSA-N
XLogP1.58
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethoxybenzamide
CID 19341334
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethoxybenzamide
CID 51098103
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 42685772
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide
CID 122356456
4-methoxy-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-pyridin-2-ylbenzamide
CID 99576828
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 24655008
4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide
CID 4864770
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3,4-dimethoxybenzamide
CID 5239068

Frequently Asked Questions

What is the IUPAC name of N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide (CID 46249593) is N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2c(-n3cnnc3)nn(C)c2C)cc1OC.
What is the InChIKey of N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide?
The InChIKey is INKSSPWIOJBEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-10-14(15(20-21(10)2)22-8-17-18-9-22)19-16(23)11-5-6-12(24-3)13(7-11)25-4/h5-9H,1-4H3,(H,19,23).
What are the key properties of N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide?
N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide has a molecular weight of 342.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 46249593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).