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

C15H15N3O4 — CID 70995521

IUPAC7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c1COc1cc(N3CC[C@H](O)C3)ccc1-2
InChIInChI=1S/C15H15N3O4/c19-9-3-4-18(6-9)8-1-2-10-12(5-8)22-7-11-13(10)16-17-14(11)15(20)21/h1-2,5,9,19H,3-4,6-7H2,(H,16,17)(H,20,21)/t9-/m0/s1
InChIKeyMTQQHJKOTCJFRL-VIFPVBQESA-N
MW301.30 g/mol
LogP1.24
Rot. Bonds2

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

7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 70995521) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
PubChem CID70995521
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c1COc1cc(N3CC[C@H](O)C3)ccc1-2
InChIInChI=1S/C15H15N3O4/c19-9-3-4-18(6-9)8-1-2-10-12(5-8)22-7-11-13(10)16-17-14(11)15(20)21/h1-2,5,9,19H,3-4,6-7H2,(H,16,17)(H,20,21)/t9-/m0/s1
InChIKeyMTQQHJKOTCJFRL-VIFPVBQESA-N
XLogP1.24
TPSA98.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (CID 70995521) is 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is O=C(O)c1[nH]nc2c1COc1cc(N3CC[C@H](O)C3)ccc1-2.
What is the InChIKey of 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is MTQQHJKOTCJFRL-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15N3O4/c19-9-3-4-18(6-9)8-1-2-10-12(5-8)22-7-11-13(10)16-17-14(11)15(20)21/h1-2,5,9,19H,3-4,6-7H2,(H,16,17)(H,20,21)/t9-/m0/s1.
What are the key properties of 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 70995521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).