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

C8H11N3O3 — CID 126650257

IUPAC3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2[nH]nc(CO)c2C1
InChIInChI=1S/C8H11N3O3/c12-4-7-5-3-11(8(13)14)2-1-6(5)9-10-7/h12H,1-4H2,(H,9,10)(H,13,14)
InChIKeyPLTGRTUNRPSPRT-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.06
Rot. Bonds1

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

3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 126650257) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID126650257
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2[nH]nc(CO)c2C1
InChIInChI=1S/C8H11N3O3/c12-4-7-5-3-11(8(13)14)2-1-6(5)9-10-7/h12H,1-4H2,(H,9,10)(H,13,14)
InChIKeyPLTGRTUNRPSPRT-UHFFFAOYSA-N
XLogP-0.06
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine-3-carboxylic acid hydrochloride hydrate
CID 29892816
tert-butyl 3-(hydroxymethyl)-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine-5-carboxylate
CID 71305920
{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol dihydrochloride
CID 137919894
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylmethanol
CID 56737757
3-[1,1-Difluoro-4-(hydroxymethyl)pent-4-enyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 155341253
(6R)-3-[1,1-difluoro-4-(hydroxymethyl)pent-4-enyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 155343876
5-acetyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 20784828
1,4,6,7-Tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
CID 22477803
5-Pentanoyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 28269227
5-(3,3-Dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 69178569
3-Methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 69178684
tert-Butyl 3-(hydroxymethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
CID 71305916

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 126650257) is 3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2[nH]nc(CO)c2C1.
What is the InChIKey of 3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is PLTGRTUNRPSPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-4-7-5-3-11(8(13)14)2-1-6(5)9-10-7/h12H,1-4H2,(H,9,10)(H,13,14).
What are the key properties of 3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 126650257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).