5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide

C21H20N6O2 — CID 155947371

IUPAC5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3n[nH]c(C)n3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H20N6O2/c1-14-23-20(25-24-14)13-22-21(28)18-12-19(15-8-10-17(29-2)11-9-15)27(26-18)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,28)(H,23,24,25)
InChIKeyAHPRVLRODDBJQD-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.90
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide

5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 155947371) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID155947371
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3n[nH]c(C)n3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H20N6O2/c1-14-23-20(25-24-14)13-22-21(28)18-12-19(15-8-10-17(29-2)11-9-15)27(26-18)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,28)(H,23,24,25)
InChIKeyAHPRVLRODDBJQD-UHFFFAOYSA-N
XLogP2.90
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
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CID 53002283
N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 60509217
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 56559254
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 55824547
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 130200394
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide (CID 155947371) is 5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCc3n[nH]c(C)n3)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is AHPRVLRODDBJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14-23-20(25-24-14)13-22-21(28)18-12-19(15-8-10-17(29-2)11-9-15)27(26-18)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,28)(H,23,24,25).
What are the key properties of 5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 155947371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).