3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol

C13H15N3O — CID 84647281

IUPAC3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
SMILESCn1nc(-c2cccc(O)c2)c2c1CCNC2
InChIInChI=1S/C13H15N3O/c1-16-12-5-6-14-8-11(12)13(15-16)9-3-2-4-10(17)7-9/h2-4,7,14,17H,5-6,8H2,1H3
InChIKeyCKVRIFNIKRCRID-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.44
Rot. Bonds1

About 3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol

3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol (PubChem CID 84647281) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol.

Molecular Properties

Compound Name3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
PubChem CID84647281
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
SMILESCn1nc(-c2cccc(O)c2)c2c1CCNC2
InChIInChI=1S/C13H15N3O/c1-16-12-5-6-14-8-11(12)13(15-16)9-3-2-4-10(17)7-9/h2-4,7,14,17H,5-6,8H2,1H3
InChIKeyCKVRIFNIKRCRID-UHFFFAOYSA-N
XLogP1.44
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
The IUPAC name of 3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol (CID 84647281) is 3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol.
What is the SMILES notation for 3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
The canonical SMILES for 3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol is Cn1nc(-c2cccc(O)c2)c2c1CCNC2.
What is the InChIKey of 3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
The InChIKey is CKVRIFNIKRCRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-12-5-6-14-8-11(12)13(15-16)9-3-2-4-10(17)7-9/h2-4,7,14,17H,5-6,8H2,1H3.
What are the key properties of 3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol has a molecular weight of 229.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol is sourced from PubChem (CID 84647281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).