2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide

C20H29N3O3 — CID 97367946

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21
InChIInChI=1S/C20H29N3O3/c24-19(11-15-3-1-2-4-15)21-12-18-20-17(7-10-26-18)14-23(22-20)13-16-5-8-25-9-6-16/h1,3,14-16,18H,2,4-13H2,(H,21,24)/t15-,18+/m1/s1
InChIKeyQRWJZXJPDWDFMX-QAPCUYQASA-N
MW359.47 g/mol
LogP2.40
Rot. Bonds6

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide (PubChem CID 97367946) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide
PubChem CID97367946
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21
InChIInChI=1S/C20H29N3O3/c24-19(11-15-3-1-2-4-15)21-12-18-20-17(7-10-26-18)14-23(22-20)13-16-5-8-25-9-6-16/h1,3,14-16,18H,2,4-13H2,(H,21,24)/t15-,18+/m1/s1
InChIKeyQRWJZXJPDWDFMX-QAPCUYQASA-N
XLogP2.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide (CID 97367946) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide is O=C(C[C@@H]1C=CCC1)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide?
The InChIKey is QRWJZXJPDWDFMX-QAPCUYQASA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(11-15-3-1-2-4-15)21-12-18-20-17(7-10-26-18)14-23(22-20)13-16-5-8-25-9-6-16/h1,3,14-16,18H,2,4-13H2,(H,21,24)/t15-,18+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide is sourced from PubChem (CID 97367946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).