3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C15H17N3 — CID 3727847

IUPAC3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESC=C(C)C1Cc2c(C)nn(-c3ccccn3)c2C1
InChIInChI=1S/C15H17N3/c1-10(2)12-8-13-11(3)17-18(14(13)9-12)15-6-4-5-7-16-15/h4-7,12H,1,8-9H2,2-3H3
InChIKeyDPMQKEJDXWBHGI-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.87
Rot. Bonds2

About 3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 3727847) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID3727847
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESC=C(C)C1Cc2c(C)nn(-c3ccccn3)c2C1
InChIInChI=1S/C15H17N3/c1-10(2)12-8-13-11(3)17-18(14(13)9-12)15-6-4-5-7-16-15/h4-7,12H,1,8-9H2,2-3H3
InChIKeyDPMQKEJDXWBHGI-UHFFFAOYSA-N
XLogP2.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 3727847) is 3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is C=C(C)C1Cc2c(C)nn(-c3ccccn3)c2C1.
What is the InChIKey of 3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is DPMQKEJDXWBHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10(2)12-8-13-11(3)17-18(14(13)9-12)15-6-4-5-7-16-15/h4-7,12H,1,8-9H2,2-3H3.
What are the key properties of 3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 239.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-prop-1-en-2-yl-1-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 3727847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).