5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide

C24H25N7O — CID 86883841

IUPAC5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)c1ccc(Cn2nccc2NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H25N7O/c1-29(2)19-12-8-17(9-13-19)16-30-21(14-15-25-30)26-24(32)22-27-23(18-10-11-18)31(28-22)20-6-4-3-5-7-20/h3-9,12-15,18H,10-11,16H2,1-2H3,(H,26,32)
InChIKeyWUKBFVHTFHDEAE-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.71
Rot. Bonds7

About 5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 86883841) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID86883841
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)c1ccc(Cn2nccc2NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H25N7O/c1-29(2)19-12-8-17(9-13-19)16-30-21(14-15-25-30)26-24(32)22-27-23(18-10-11-18)31(28-22)20-6-4-3-5-7-20/h3-9,12-15,18H,10-11,16H2,1-2H3,(H,26,32)
InChIKeyWUKBFVHTFHDEAE-UHFFFAOYSA-N
XLogP3.71
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881343
1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 78806628
N-[4-(cyanomethyl)phenyl]-5-cyclopropyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 56823295
5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881682
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide
CID 86906690
5-cyclopropyl-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 86881454
N-[2-[[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86883842
N-[4-[[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 78806761
5-cyclopropyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881405
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-(4-fluorophenyl)propanamide
CID 78806750
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 86906709

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 86883841) is 5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide is CN(C)c1ccc(Cn2nccc2NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is WUKBFVHTFHDEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-29(2)19-12-8-17(9-13-19)16-30-21(14-15-25-30)26-24(32)22-27-23(18-10-11-18)31(28-22)20-6-4-3-5-7-20/h3-9,12-15,18H,10-11,16H2,1-2H3,(H,26,32).
What are the key properties of 5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86883841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).