N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C17H16N4O3 — CID 171141583

IUPACN-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2n(n1)CC(Oc1ccncc1)C2
InChIInChI=1S/C17H16N4O3/c22-17(19-10-14-2-1-7-23-14)16-9-12-8-15(11-21(12)20-16)24-13-3-5-18-6-4-13/h1-7,9,15H,8,10-11H2,(H,19,22)
InChIKeyQOXWXRAYDNKMES-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.80
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 171141583) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID171141583
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2n(n1)CC(Oc1ccncc1)C2
InChIInChI=1S/C17H16N4O3/c22-17(19-10-14-2-1-7-23-14)16-9-12-8-15(11-21(12)20-16)24-13-3-5-18-6-4-13/h1-7,9,15H,8,10-11H2,(H,19,22)
InChIKeyQOXWXRAYDNKMES-UHFFFAOYSA-N
XLogP1.80
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171144642
N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171141575
N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171144644
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
5-benzyl-N-(furan-2-ylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077083
1-[(3-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19276507
furan-2-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124725318
6-(cyclopropylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109109812
1-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19269316
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109209427
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109226082

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 171141583) is N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is O=C(NCc1ccco1)c1cc2n(n1)CC(Oc1ccncc1)C2.
What is the InChIKey of N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is QOXWXRAYDNKMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17(19-10-14-2-1-7-23-14)16-9-12-8-15(11-21(12)20-16)24-13-3-5-18-6-4-13/h1-7,9,15H,8,10-11H2,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 171141583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).