N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H22N6O — CID 32577002

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1
InChIInChI=1S/C23H22N6O/c1-2-28-15-24-26-22(28)16-8-6-9-17(14-16)25-23(30)21-19-12-7-13-20(19)29(27-21)18-10-4-3-5-11-18/h3-6,8-11,14-15H,2,7,12-13H2,1H3,(H,25,30)
InChIKeyAALFUNXTIITDCI-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.89
Rot. Bonds5

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 32577002) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID32577002
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1
InChIInChI=1S/C23H22N6O/c1-2-28-15-24-26-22(28)16-8-6-9-17(14-16)25-23(30)21-19-12-7-13-20(19)29(27-21)18-10-4-3-5-11-18/h3-6,8-11,14-15H,2,7,12-13H2,1H3,(H,25,30)
InChIKeyAALFUNXTIITDCI-UHFFFAOYSA-N
XLogP3.89
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(carbamoylamino)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55824157
N-[3-[(2-methoxyacetyl)amino]phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46585012
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32580860
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
1-(4-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 52668699
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 32582171
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
CID 32577417

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 32577002) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CCn1cnnc1-c1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is AALFUNXTIITDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-2-28-15-24-26-22(28)16-8-6-9-17(14-16)25-23(30)21-19-12-7-13-20(19)29(27-21)18-10-4-3-5-11-18/h3-6,8-11,14-15H,2,7,12-13H2,1H3,(H,25,30).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 32577002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).