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

C28H26N6O3 — CID 26238797

IUPAC4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC
InChIInChI=1S/C28H26N6O3/c1-19(20-9-12-23(13-10-20)34-18-29-17-30-34)31-28(35)27-24(16-33(32-27)22-7-5-4-6-8-22)21-11-14-25(36-2)26(15-21)37-3/h4-19H,1-3H3,(H,31,35)/t19-/m1/s1
InChIKeyCMFRFOVRKLCHAS-LJQANCHMSA-N
MW494.56 g/mol
LogP4.63
Rot. Bonds8

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

4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide (PubChem CID 26238797) has the molecular formula C28H26N6O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide
PubChem CID26238797
Molecular FormulaC28H26N6O3
Molecular Weight494.56 g/mol
Exact Mass494.21
IUPAC Name4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC
InChIInChI=1S/C28H26N6O3/c1-19(20-9-12-23(13-10-20)34-18-29-17-30-34)31-28(35)27-24(16-33(32-27)22-7-5-4-6-8-22)21-11-14-25(36-2)26(15-21)37-3/h4-19H,1-3H3,(H,31,35)/t19-/m1/s1
InChIKeyCMFRFOVRKLCHAS-LJQANCHMSA-N
XLogP4.63
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide
CID 46441310
4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 24594799
4-(3,4-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 55495112
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
4-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 16594232
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
2-(2-methoxyphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582996
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 45352345
4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 24622479
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 16613867
2-methoxy-5-sulfamoyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide (CID 26238797) is 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide is COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide?
The InChIKey is CMFRFOVRKLCHAS-LJQANCHMSA-N. The full InChI is InChI=1S/C28H26N6O3/c1-19(20-9-12-23(13-10-20)34-18-29-17-30-34)31-28(35)27-24(16-33(32-27)22-7-5-4-6-8-22)21-11-14-25(36-2)26(15-21)37-3/h4-19H,1-3H3,(H,31,35)/t19-/m1/s1.
What are the key properties of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide?
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide has a molecular weight of 494.56 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 26238797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).