(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone

C17H16ClN5O — CID 1258119

IUPAC(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1nn2cccnc2c1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H16ClN5O/c18-14-15(20-23-8-4-7-19-16(14)23)17(24)22-11-9-21(10-12-22)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyJJUBRDMJDMCNKL-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.35
Rot. Bonds2

About (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone

(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1258119) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID1258119
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1nn2cccnc2c1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H16ClN5O/c18-14-15(20-23-8-4-7-19-16(14)23)17(24)22-11-9-21(10-12-22)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyJJUBRDMJDMCNKL-UHFFFAOYSA-N
XLogP2.35
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 1258119) is (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1nn2cccnc2c1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JJUBRDMJDMCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-14-15(20-23-8-4-7-19-16(14)23)17(24)22-11-9-21(10-12-22)13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 341.80 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1258119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).