3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

C11H15N3O3 — CID 155341612

IUPAC3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESC=CCn1nc2c(c1CO)CN(C(=O)O)CC2
InChIInChI=1S/C11H15N3O3/c1-2-4-14-10(7-15)8-6-13(11(16)17)5-3-9(8)12-14/h2,15H,1,3-7H2,(H,16,17)
InChIKeyKXLCONRLLNKZTL-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.60
Rot. Bonds3

About 3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 155341612) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID155341612
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESC=CCn1nc2c(c1CO)CN(C(=O)O)CC2
InChIInChI=1S/C11H15N3O3/c1-2-4-14-10(7-15)8-6-13(11(16)17)5-3-9(8)12-14/h2,15H,1,3-7H2,(H,16,17)
InChIKeyKXLCONRLLNKZTL-UHFFFAOYSA-N
XLogP0.60
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanol
CID 97519885
(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanol
CID 46318387
{1-methyl-5-[(1-methylpiperidin-2-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol
CID 91830088
1-(tert-Butoxycarbonyl)-4-(1-ethyl-3-hydroxymethyl-4-methyl-(1H)-pyrazol-5-yl)piperidine
CID 21912742
tert-Butyl 3-(hydroxymethyl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
CID 121229334
3-(Hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 126650257
2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
CID 146657429
[2-(Hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanol
CID 153995776
(3-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanol
CID 155019631
tert-butyl 3-(hydroxymethyl)-6-methyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 155341427
tert-butyl (6R)-3-(hydroxymethyl)-6-methyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 155341429
14-Hydroxy-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxylic acid
CID 155343278

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 155341612) is 3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is C=CCn1nc2c(c1CO)CN(C(=O)O)CC2.
What is the InChIKey of 3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is KXLCONRLLNKZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-4-14-10(7-15)8-6-13(11(16)17)5-3-9(8)12-14/h2,15H,1,3-7H2,(H,16,17).
What are the key properties of 3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 155341612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).