4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid

C13H13N3O2 — CID 110540362

IUPAC4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C13H13N3O2/c17-13(18)9-3-1-8(2-4-9)12-10-7-14-6-5-11(10)15-16-12/h1-4,14H,5-7H2,(H,15,16)(H,17,18)
InChIKeyINCLGOQQQBJEAN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.42
Rot. Bonds2

About 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid

4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid (PubChem CID 110540362) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid
PubChem CID110540362
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C13H13N3O2/c17-13(18)9-3-1-8(2-4-9)12-10-7-14-6-5-11(10)15-16-12/h1-4,14H,5-7H2,(H,15,16)(H,17,18)
InChIKeyINCLGOQQQBJEAN-UHFFFAOYSA-N
XLogP1.42
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid (CID 110540362) is 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid is O=C(O)c1ccc(-c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid?
The InChIKey is INCLGOQQQBJEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)9-3-1-8(2-4-9)12-10-7-14-6-5-11(10)15-16-12/h1-4,14H,5-7H2,(H,15,16)(H,17,18).
What are the key properties of 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid?
4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid has a molecular weight of 243.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 110540362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).