3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

C19H26N6O — CID 45206678

IUPAC3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCn1cccn1)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H26N6O/c26-18(6-14-25-10-2-9-22-25)24-13-5-17(15-24)16-3-11-23(12-4-16)19-20-7-1-8-21-19/h1-2,7-10,16-17H,3-6,11-15H2
InChIKeyDWKJKQAPDGYCOQ-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.83
Rot. Bonds5

About 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 45206678) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID45206678
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCn1cccn1)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H26N6O/c26-18(6-14-25-10-2-9-22-25)24-13-5-17(15-24)16-3-11-23(12-4-16)19-20-7-1-8-21-19/h1-2,7-10,16-17H,3-6,11-15H2
InChIKeyDWKJKQAPDGYCOQ-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-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 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one (CID 45206678) is 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one is O=C(CCn1cccn1)N1CCC(C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is DWKJKQAPDGYCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-18(6-14-25-10-2-9-22-25)24-13-5-17(15-24)16-3-11-23(12-4-16)19-20-7-1-8-21-19/h1-2,7-10,16-17H,3-6,11-15H2.
What are the key properties of 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 354.46 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 45206678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).