4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid

C14H14N4O3 — CID 82588594

IUPAC4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
SMILESNC(=O)c1nn(-c2ccc(C(=O)O)cc2)c2c1CNCC2
InChIInChI=1S/C14H14N4O3/c15-13(19)12-10-7-16-6-5-11(10)18(17-12)9-3-1-8(2-4-9)14(20)21/h1-4,16H,5-7H2,(H2,15,19)(H,20,21)
InChIKeyDVRJPBMIBQOZCB-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.32
Rot. Bonds3

About 4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid

4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid (PubChem CID 82588594) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
PubChem CID82588594
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
SMILESNC(=O)c1nn(-c2ccc(C(=O)O)cc2)c2c1CNCC2
InChIInChI=1S/C14H14N4O3/c15-13(19)12-10-7-16-6-5-11(10)18(17-12)9-3-1-8(2-4-9)14(20)21/h1-4,16H,5-7H2,(H2,15,19)(H,20,21)
InChIKeyDVRJPBMIBQOZCB-UHFFFAOYSA-N
XLogP0.32
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
The IUPAC name of 4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid (CID 82588594) is 4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid.
What is the SMILES notation for 4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
The canonical SMILES for 4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid is NC(=O)c1nn(-c2ccc(C(=O)O)cc2)c2c1CNCC2.
What is the InChIKey of 4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
The InChIKey is DVRJPBMIBQOZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c15-13(19)12-10-7-16-6-5-11(10)18(17-12)9-3-1-8(2-4-9)14(20)21/h1-4,16H,5-7H2,(H2,15,19)(H,20,21).
What are the key properties of 4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid is sourced from PubChem (CID 82588594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).