4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline

C22H21N5 — CID 133275818

IUPAC4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
SMILESc1ccc(-c2nc(N3CCCC(n4cccn4)C3)nc3ccccc23)cc1
InChIInChI=1S/C22H21N5/c1-2-8-17(9-3-1)21-19-11-4-5-12-20(19)24-22(25-21)26-14-6-10-18(16-26)27-15-7-13-23-27/h1-5,7-9,11-13,15,18H,6,10,14,16H2
InChIKeyCTCFHXUSEQBLSA-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.33
Rot. Bonds3

About 4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline

4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline (PubChem CID 133275818) has the molecular formula C22H21N5 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
PubChem CID133275818
Molecular FormulaC22H21N5
Molecular Weight355.44 g/mol
Exact Mass355.18
IUPAC Name4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
SMILESc1ccc(-c2nc(N3CCCC(n4cccn4)C3)nc3ccccc23)cc1
InChIInChI=1S/C22H21N5/c1-2-8-17(9-3-1)21-19-11-4-5-12-20(19)24-22(25-21)26-14-6-10-18(16-26)27-15-7-13-23-27/h1-5,7-9,11-13,15,18H,6,10,14,16H2
InChIKeyCTCFHXUSEQBLSA-UHFFFAOYSA-N
XLogP4.33
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
CID 133275794
2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 133275836
4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
CID 126946631
N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide
CID 133274920
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338
2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine
CID 133454441
2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133275758
[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 27816575
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994
N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133275801
6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275711
4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11267128

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline?
The IUPAC name of 4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline (CID 133275818) is 4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline?
The canonical SMILES for 4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline is c1ccc(-c2nc(N3CCCC(n4cccn4)C3)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline?
The InChIKey is CTCFHXUSEQBLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-2-8-17(9-3-1)21-19-11-4-5-12-20(19)24-22(25-21)26-14-6-10-18(16-26)27-15-7-13-23-27/h1-5,7-9,11-13,15,18H,6,10,14,16H2.
What are the key properties of 4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline?
4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline has a molecular weight of 355.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 133275818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).