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

C22H23N3O2 — CID 56744280

IUPAC1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C22H23N3O2/c1-15(26)22(27)25-13-12-19-18(14-25)21(24-23-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,20,26H,12-14H2,1H3,(H,23,24)
InChIKeyCFJJGFHDQRLDHU-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.86
Rot. Bonds4

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

1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one (PubChem CID 56744280) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one
PubChem CID56744280
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C22H23N3O2/c1-15(26)22(27)25-13-12-19-18(14-25)21(24-23-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,20,26H,12-14H2,1H3,(H,23,24)
InChIKeyCFJJGFHDQRLDHU-UHFFFAOYSA-N
XLogP2.86
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.86
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-hydroxypropan-1-one?
The IUPAC name of 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one (CID 56744280) is 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one is CC(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-hydroxypropan-1-one?
The InChIKey is CFJJGFHDQRLDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(26)22(27)25-13-12-19-18(14-25)21(24-23-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,20,26H,12-14H2,1H3,(H,23,24).
What are the key properties of 1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one?
1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one has a molecular weight of 361.45 g/mol, XLogP of 2.86, 4 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-hydroxypropan-1-one is sourced from PubChem (CID 56744280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).