5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide

C16H18N6O3 — CID 136555858

IUPAC5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NC(Cc2ccccc2)c2n[nH]c(=O)[nH]2)nn1C
InChIInChI=1S/C16H18N6O3/c1-22-13(25-2)9-12(21-22)15(23)17-11(14-18-16(24)20-19-14)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,17,23)(H2,18,19,20,24)
InChIKeyAFHCOAPNLZGRMG-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.55
Rot. Bonds6

About 5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide

5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide (PubChem CID 136555858) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide
PubChem CID136555858
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NC(Cc2ccccc2)c2n[nH]c(=O)[nH]2)nn1C
InChIInChI=1S/C16H18N6O3/c1-22-13(25-2)9-12(21-22)15(23)17-11(14-18-16(24)20-19-14)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,17,23)(H2,18,19,20,24)
InChIKeyAFHCOAPNLZGRMG-UHFFFAOYSA-N
XLogP0.55
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide
CID 137216171
3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid
CID 114255017
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
N-[4-(chloromethyl)phenyl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114255172
4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120546823
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 55939941
N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide
CID 130497434
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 56793656
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 95755260
2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521
N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4273385

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide (CID 136555858) is 5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide is COc1cc(C(=O)NC(Cc2ccccc2)c2n[nH]c(=O)[nH]2)nn1C.
What is the InChIKey of 5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide?
The InChIKey is AFHCOAPNLZGRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-22-13(25-2)9-12(21-22)15(23)17-11(14-18-16(24)20-19-14)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,17,23)(H2,18,19,20,24).
What are the key properties of 5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide?
5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 136555858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).