1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one

C23H25N3O2 — CID 56756274

IUPAC1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one
SMILESCCC(O)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C23H25N3O2/c1-2-20(27)23(28)26-14-13-19-18(15-26)22(25-24-19)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20-21,27H,2,13-15H2,1H3,(H,24,25)
InChIKeyKKOKPRQWVAKBDA-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.25
Rot. Bonds5

About 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one

1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one (PubChem CID 56756274) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one
PubChem CID56756274
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one
SMILESCCC(O)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C23H25N3O2/c1-2-20(27)23(28)26-14-13-19-18(15-26)22(25-24-19)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20-21,27H,2,13-15H2,1H3,(H,24,25)
InChIKeyKKOKPRQWVAKBDA-UHFFFAOYSA-N
XLogP3.25
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one?
The IUPAC name of 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one (CID 56756274) is 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one.
What is the SMILES notation for 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one?
The canonical SMILES for 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one is CCC(O)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1.
What is the InChIKey of 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one?
The InChIKey is KKOKPRQWVAKBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-20(27)23(28)26-14-13-19-18(15-26)22(25-24-19)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20-21,27H,2,13-15H2,1H3,(H,24,25).
What are the key properties of 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one?
1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one has a molecular weight of 375.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one is sourced from PubChem (CID 56756274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).