2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone

C17H25N3O2 — CID 155881349

IUPAC2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(c2n[nH]c3c2COCC3)C1
InChIInChI=1S/C17H25N3O2/c21-16(9-12-3-1-2-4-12)20-7-5-13(10-20)17-14-11-22-8-6-15(14)18-19-17/h12-13H,1-11H2,(H,18,19)
InChIKeyWJVYMZUFAWHMHB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.38
Rot. Bonds3

About 2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 155881349) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID155881349
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(c2n[nH]c3c2COCC3)C1
InChIInChI=1S/C17H25N3O2/c21-16(9-12-3-1-2-4-12)20-7-5-13(10-20)17-14-11-22-8-6-15(14)18-19-17/h12-13H,1-11H2,(H,18,19)
InChIKeyWJVYMZUFAWHMHB-UHFFFAOYSA-N
XLogP2.38
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone
CID 155881137
2-(4-methylphenyl)-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone
CID 155880402
2-ethyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]butan-1-one
CID 155881449
cyclohexylmethyl 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)azetidine-1-carboxylate
CID 136573515
furan-2-yl-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 155880389
3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498873
(1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 155881332
3-cyclohexyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498714
2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
CID 167904651
3-(3-but-3-ynyldiazirin-3-yl)-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)azetidin-1-yl]propan-1-one
CID 166409404
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone
CID 50954190
2-cyclopentyl-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112937

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone (CID 155881349) is 2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(c2n[nH]c3c2COCC3)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is WJVYMZUFAWHMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-16(9-12-3-1-2-4-12)20-7-5-13(10-20)17-14-11-22-8-6-15(14)18-19-17/h12-13H,1-11H2,(H,18,19).
What are the key properties of 2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 155881349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).