1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one

C16H23N5O — CID 31054493

IUPAC1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCC(C)(C)c1n[nH]c2c1CN(C(=O)CCn1cccn1)CC2
InChIInChI=1S/C16H23N5O/c1-16(2,3)15-12-11-20(9-5-13(12)18-19-15)14(22)6-10-21-8-4-7-17-21/h4,7-8H,5-6,9-11H2,1-3H3,(H,18,19)
InChIKeyCTVXMLSPHYFXTG-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.88
Rot. Bonds3

About 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one

1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 31054493) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one
PubChem CID31054493
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCC(C)(C)c1n[nH]c2c1CN(C(=O)CCn1cccn1)CC2
InChIInChI=1S/C16H23N5O/c1-16(2,3)15-12-11-20(9-5-13(12)18-19-15)14(22)6-10-21-8-4-7-17-21/h4,7-8H,5-6,9-11H2,1-3H3,(H,18,19)
InChIKeyCTVXMLSPHYFXTG-UHFFFAOYSA-N
XLogP1.88
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one (CID 31054493) is 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one is CC(C)(C)c1n[nH]c2c1CN(C(=O)CCn1cccn1)CC2.
What is the InChIKey of 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is CTVXMLSPHYFXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-16(2,3)15-12-11-20(9-5-13(12)18-19-15)14(22)6-10-21-8-4-7-17-21/h4,7-8H,5-6,9-11H2,1-3H3,(H,18,19).
What are the key properties of 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one?
1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 301.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 31054493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).