1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C11H15N3O2 — CID 176515483

IUPAC1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CC2CC2)c2c1CNCC2
InChIInChI=1S/C11H15N3O2/c15-11(16)10-8-5-12-4-3-9(8)14(13-10)6-7-1-2-7/h7,12H,1-6H2,(H,15,16)
InChIKeyGFQQNICWMQZLBK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.64
Rot. Bonds3

About 1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 176515483) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID176515483
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CC2CC2)c2c1CNCC2
InChIInChI=1S/C11H15N3O2/c15-11(16)10-8-5-12-4-3-9(8)14(13-10)6-7-1-2-7/h7,12H,1-6H2,(H,15,16)
InChIKeyGFQQNICWMQZLBK-UHFFFAOYSA-N
XLogP0.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 176515483) is 1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1nn(CC2CC2)c2c1CNCC2.
What is the InChIKey of 1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is GFQQNICWMQZLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)10-8-5-12-4-3-9(8)14(13-10)6-7-1-2-7/h7,12H,1-6H2,(H,15,16).
What are the key properties of 1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 176515483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).