[5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol

C16H17N3O2 — CID 77096737

IUPAC[5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESOCc1n[nH]c2c1CN(Cc1cc3ccccc3o1)CC2
InChIInChI=1S/C16H17N3O2/c20-10-15-13-9-19(6-5-14(13)17-18-15)8-12-7-11-3-1-2-4-16(11)21-12/h1-4,7,20H,5-6,8-10H2,(H,17,18)
InChIKeyIGXMISUKCZRLTM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.21
Rot. Bonds3

About [5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol

[5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 77096737) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID77096737
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESOCc1n[nH]c2c1CN(Cc1cc3ccccc3o1)CC2
InChIInChI=1S/C16H17N3O2/c20-10-15-13-9-19(6-5-14(13)17-18-15)8-12-7-11-3-1-2-4-16(11)21-12/h1-4,7,20H,5-6,8-10H2,(H,17,18)
InChIKeyIGXMISUKCZRLTM-UHFFFAOYSA-N
XLogP2.21
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol (CID 77096737) is [5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol is OCc1n[nH]c2c1CN(Cc1cc3ccccc3o1)CC2.
What is the InChIKey of [5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is IGXMISUKCZRLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-10-15-13-9-19(6-5-14(13)17-18-15)8-12-7-11-3-1-2-4-16(11)21-12/h1-4,7,20H,5-6,8-10H2,(H,17,18).
What are the key properties of [5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
[5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 283.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 77096737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).