[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C17H18N6O2 — CID 121190596

IUPAC[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H18N6O2/c24-17(14-8-13(18-19-14)16-2-1-7-25-16)22-6-5-12(9-22)23-10-15(20-21-23)11-3-4-11/h1-2,7-8,10-12H,3-6,9H2,(H,18,19)
InChIKeyFCXWYXFSDXJNIG-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.23
Rot. Bonds4

About [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 121190596) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID121190596
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H18N6O2/c24-17(14-8-13(18-19-14)16-2-1-7-25-16)22-6-5-12(9-22)23-10-15(20-21-23)11-3-4-11/h1-2,7-8,10-12H,3-6,9H2,(H,18,19)
InChIKeyFCXWYXFSDXJNIG-UHFFFAOYSA-N
XLogP2.23
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
[5-(furan-2-yl)-1H-pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995824
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541109
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639019
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 121190641
(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 119239257
(2R)-4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 129415638
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 121190596) is [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is FCXWYXFSDXJNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-17(14-8-13(18-19-14)16-2-1-7-25-16)22-6-5-12(9-22)23-10-15(20-21-23)11-3-4-11/h1-2,7-8,10-12H,3-6,9H2,(H,18,19).
What are the key properties of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 338.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 121190596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).