2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C16H21N3O2 — CID 97248046

IUPAC2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)C[C@@H]2CCCN2C(=O)C2=CCCC2)cn1
InChIInChI=1S/C16H21N3O2/c1-18-11-13(10-17-18)15(20)9-14-7-4-8-19(14)16(21)12-5-2-3-6-12/h5,10-11,14H,2-4,6-9H2,1H3/t14-/m0/s1
InChIKeyHFDNFMUIJLBTNF-AWEZNQCLSA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds4

About 2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 97248046) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID97248046
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)C[C@@H]2CCCN2C(=O)C2=CCCC2)cn1
InChIInChI=1S/C16H21N3O2/c1-18-11-13(10-17-18)15(20)9-14-7-4-8-19(14)16(21)12-5-2-3-6-12/h5,10-11,14H,2-4,6-9H2,1H3/t14-/m0/s1
InChIKeyHFDNFMUIJLBTNF-AWEZNQCLSA-N
XLogP2.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 97248046) is 2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)C2=CCCC2)cn1.
What is the InChIKey of 2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is HFDNFMUIJLBTNF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-11-13(10-17-18)15(20)9-14-7-4-8-19(14)16(21)12-5-2-3-6-12/h5,10-11,14H,2-4,6-9H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 287.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 97248046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).