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

C16H16N6O2 — CID 166235076

IUPACN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cc3n(n2)CCC3)n[nH]1
InChIInChI=1S/C16H16N6O2/c1-24-13-7-3-2-6-11(13)14-17-16(20-19-14)18-15(23)12-9-10-5-4-8-22(10)21-12/h2-3,6-7,9H,4-5,8H2,1H3,(H2,17,18,19,20,23)
InChIKeyKRGJQWIBYNGPNM-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.88
Rot. Bonds4

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

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 166235076) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID166235076
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cc3n(n2)CCC3)n[nH]1
InChIInChI=1S/C16H16N6O2/c1-24-13-7-3-2-6-11(13)14-17-16(20-19-14)18-15(23)12-9-10-5-4-8-22(10)21-12/h2-3,6-7,9H,4-5,8H2,1H3,(H2,17,18,19,20,23)
InChIKeyKRGJQWIBYNGPNM-UHFFFAOYSA-N
XLogP1.88
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 166357435
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55851334
2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide
CID 71702488
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51119952
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
CID 55646004
N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 49196261
3-bromo-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]adamantane-1-carboxamide
CID 56508882
5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
CID 56508879
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55849670
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55851335

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 166235076) is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is COc1ccccc1-c1nc(NC(=O)c2cc3n(n2)CCC3)n[nH]1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is KRGJQWIBYNGPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-24-13-7-3-2-6-11(13)14-17-16(20-19-14)18-15(23)12-9-10-5-4-8-22(10)21-12/h2-3,6-7,9H,4-5,8H2,1H3,(H2,17,18,19,20,23).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.88, 4 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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 166235076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).