3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one

C19H19N3O — CID 174110620

IUPAC3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one
SMILESCn1ccc(-c2cc(C3=CC(=O)CC3)ncc2C2=CCCC2)n1
InChIInChI=1S/C19H19N3O/c1-22-9-8-18(21-22)16-11-19(14-6-7-15(23)10-14)20-12-17(16)13-4-2-3-5-13/h4,8-12H,2-3,5-7H2,1H3
InChIKeyOTRQOMFQIZPNAD-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.80
Rot. Bonds3

About 3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one

3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one (PubChem CID 174110620) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one
PubChem CID174110620
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one
SMILESCn1ccc(-c2cc(C3=CC(=O)CC3)ncc2C2=CCCC2)n1
InChIInChI=1S/C19H19N3O/c1-22-9-8-18(21-22)16-11-19(14-6-7-15(23)10-14)20-12-17(16)13-4-2-3-5-13/h4,8-12H,2-3,5-7H2,1H3
InChIKeyOTRQOMFQIZPNAD-UHFFFAOYSA-N
XLogP3.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one (CID 174110620) is 3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one is Cn1ccc(-c2cc(C3=CC(=O)CC3)ncc2C2=CCCC2)n1.
What is the InChIKey of 3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one?
The InChIKey is OTRQOMFQIZPNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-22-9-8-18(21-22)16-11-19(14-6-7-15(23)10-14)20-12-17(16)13-4-2-3-5-13/h4,8-12H,2-3,5-7H2,1H3.
What are the key properties of 3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one?
3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one has a molecular weight of 305.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopenten-1-yl)-4-(1-methylpyrazol-3-yl)-2-pyridinyl]cyclopent-2-en-1-one is sourced from PubChem (CID 174110620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).