7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid

C16H17N3O4 — CID 59587833

IUPAC7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESCO[C@H]1CCN(c2ccc3c(c2)OCc2c-3n[nH]c2C(=O)O)C1
InChIInChI=1S/C16H17N3O4/c1-22-10-4-5-19(7-10)9-2-3-11-13(6-9)23-8-12-14(11)17-18-15(12)16(20)21/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18)(H,20,21)/t10-/m0/s1
InChIKeyYBSFNUWKRXFMHX-JTQLQIEISA-N
MW315.33 g/mol
LogP1.89
Rot. Bonds3

About 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid

7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 59587833) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
PubChem CID59587833
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESCO[C@H]1CCN(c2ccc3c(c2)OCc2c-3n[nH]c2C(=O)O)C1
InChIInChI=1S/C16H17N3O4/c1-22-10-4-5-19(7-10)9-2-3-11-13(6-9)23-8-12-14(11)17-18-15(12)16(20)21/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18)(H,20,21)/t10-/m0/s1
InChIKeyYBSFNUWKRXFMHX-JTQLQIEISA-N
XLogP1.89
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid 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 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (CID 59587833) is 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is CO[C@H]1CCN(c2ccc3c(c2)OCc2c-3n[nH]c2C(=O)O)C1.
What is the InChIKey of 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is YBSFNUWKRXFMHX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-10-4-5-19(7-10)9-2-3-11-13(6-9)23-8-12-14(11)17-18-15(12)16(20)21/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18)(H,20,21)/t10-/m0/s1.
What are the key properties of 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 59587833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).