[4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone

C24H20ClF2N5O — CID 1298966

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H20ClF2N5O/c25-17-7-4-8-18(13-17)30-9-11-31(12-10-30)24(33)19-15-28-32-21(22(26)27)14-20(29-23(19)32)16-5-2-1-3-6-16/h1-8,13-15,22H,9-12H2
InChIKeyURTWTPLOKLOVRW-UHFFFAOYSA-N
MW467.91 g/mol
LogP4.95
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 1298966) has the molecular formula C24H20ClF2N5O and a molecular weight of 467.91 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID1298966
Molecular FormulaC24H20ClF2N5O
Molecular Weight467.91 g/mol
Exact Mass467.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H20ClF2N5O/c25-17-7-4-8-18(13-17)30-9-11-31(12-10-30)24(33)19-15-28-32-21(22(26)27)14-20(29-23(19)32)16-5-2-1-3-6-16/h1-8,13-15,22H,9-12H2
InChIKeyURTWTPLOKLOVRW-UHFFFAOYSA-N
XLogP4.95
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone 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 [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 1298966) is [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone is O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is URTWTPLOKLOVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O/c25-17-7-4-8-18(13-17)30-9-11-31(12-10-30)24(33)19-15-28-32-21(22(26)27)14-20(29-23(19)32)16-5-2-1-3-6-16/h1-8,13-15,22H,9-12H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 467.91 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 1298966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).