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

C16H18N6O3 — CID 126799547

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)Nc3ncn(C)n3)cn2)cc1OC
InChIInChI=1S/C16H18N6O3/c1-21-10-17-16(20-21)19-15(23)12-7-18-22(9-12)8-11-4-5-13(24-2)14(6-11)25-3/h4-7,9-10H,8H2,1-3H3,(H,19,20,23)
InChIKeyVVZONRFQSPCEIE-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.33
Rot. Bonds6

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

1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide (PubChem CID 126799547) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
PubChem CID126799547
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)Nc3ncn(C)n3)cn2)cc1OC
InChIInChI=1S/C16H18N6O3/c1-21-10-17-16(20-21)19-15(23)12-7-18-22(9-12)8-11-4-5-13(24-2)14(6-11)25-3/h4-7,9-10H,8H2,1-3H3,(H,19,20,23)
InChIKeyVVZONRFQSPCEIE-UHFFFAOYSA-N
XLogP1.33
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
CID 126811745
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-4-carboxamide
CID 19281135
(1-benzylpyrazol-4-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9474985
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethoxybenzamide
CID 19341334
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19338461
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxybenzamide
CID 19409221
methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
CID 156583770
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide (CID 126799547) is 1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)Nc3ncn(C)n3)cn2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is VVZONRFQSPCEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-21-10-17-16(20-21)19-15(23)12-7-18-22(9-12)8-11-4-5-13(24-2)14(6-11)25-3/h4-7,9-10H,8H2,1-3H3,(H,19,20,23).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 126799547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).