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

C16H18ClN3O4 — CID 68674338

IUPAC7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride
SMILESCO[C@H]1CCN(c2ccc3c(c2)OCc2c-3n[nH]c2C(=O)O)C1.Cl
InChIInChI=1S/C16H17N3O4.ClH/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);1H/t10-;/m0./s1
InChIKeyIHIYVBRSQXNDRQ-PPHPATTJSA-N
MW351.79 g/mol
LogP2.31
Rot. Bonds3

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

7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride (PubChem CID 68674338) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride
PubChem CID68674338
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride
SMILESCO[C@H]1CCN(c2ccc3c(c2)OCc2c-3n[nH]c2C(=O)O)C1.Cl
InChIInChI=1S/C16H17N3O4.ClH/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);1H/t10-;/m0./s1
InChIKeyIHIYVBRSQXNDRQ-PPHPATTJSA-N
XLogP2.31
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.31
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;hydrochloride 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;hydrochloride?
The IUPAC name of 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride (CID 68674338) is 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride is CO[C@H]1CCN(c2ccc3c(c2)OCc2c-3n[nH]c2C(=O)O)C1.Cl.
What is the InChIKey of 7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride?
The InChIKey is IHIYVBRSQXNDRQ-PPHPATTJSA-N. The full InChI is InChI=1S/C16H17N3O4.ClH/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);1H/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;hydrochloride?
7-[(3S)-3-methoxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid;hydrochloride has a molecular weight of 351.79 g/mol, XLogP of 2.31, 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;hydrochloride is sourced from PubChem (CID 68674338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).