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

C22H20N6O2 — CID 55851334

IUPACN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)n[nH]1
InChIInChI=1S/C22H20N6O2/c1-30-18-13-6-5-10-16(18)20-23-22(26-25-20)24-21(29)19-15-11-7-12-17(15)28(27-19)14-8-3-2-4-9-14/h2-6,8-10,13H,7,11-12H2,1H3,(H2,23,24,25,26,29)
InChIKeyZPJRTSUUCFWYLC-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.41
Rot. Bonds5

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

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55851334) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55851334
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)n[nH]1
InChIInChI=1S/C22H20N6O2/c1-30-18-13-6-5-10-16(18)20-23-22(26-25-20)24-21(29)19-15-11-7-12-17(15)28(27-19)14-8-3-2-4-9-14/h2-6,8-10,13H,7,11-12H2,1H3,(H2,23,24,25,26,29)
InChIKeyZPJRTSUUCFWYLC-UHFFFAOYSA-N
XLogP3.41
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166192581
N-(2,4-dimethoxyphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17399023
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167753412
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24592437
5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 166357435
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
N-[3-[(2-methoxyacetyl)amino]phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46585012
N-(4-fluoro-2-methylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24586962
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55851334) is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is COc1ccccc1-c1nc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)n[nH]1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is ZPJRTSUUCFWYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-30-18-13-6-5-10-16(18)20-23-22(26-25-20)24-21(29)19-15-11-7-12-17(15)28(27-19)14-8-3-2-4-9-14/h2-6,8-10,13H,7,11-12H2,1H3,(H2,23,24,25,26,29).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55851334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).