[4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone

C18H15ClFN5O2 — CID 1257441

IUPAC[4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2nn3cccnc3c2Cl)CC1
InChIInChI=1S/C18H15ClFN5O2/c19-14-15(22-25-6-2-5-21-16(14)25)18(27)24-9-7-23(8-10-24)17(26)12-3-1-4-13(20)11-12/h1-6,11H,7-10H2
InChIKeyVNGPQEYJLZGANB-UHFFFAOYSA-N
MW387.80 g/mol
LogP2.12
Rot. Bonds2

About [4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone

[4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 1257441) has the molecular formula C18H15ClFN5O2 and a molecular weight of 387.80 g/mol. Its IUPAC name is [4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID1257441
Molecular FormulaC18H15ClFN5O2
Molecular Weight387.80 g/mol
Exact Mass387.09
IUPAC Name[4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2nn3cccnc3c2Cl)CC1
InChIInChI=1S/C18H15ClFN5O2/c19-14-15(22-25-6-2-5-21-16(14)25)18(27)24-9-7-23(8-10-24)17(26)12-3-1-4-13(20)11-12/h1-6,11H,7-10H2
InChIKeyVNGPQEYJLZGANB-UHFFFAOYSA-N
XLogP2.12
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 1257441) is [4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(C(=O)c2nn3cccnc3c2Cl)CC1.
What is the InChIKey of [4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is VNGPQEYJLZGANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O2/c19-14-15(22-25-6-2-5-21-16(14)25)18(27)24-9-7-23(8-10-24)17(26)12-3-1-4-13(20)11-12/h1-6,11H,7-10H2.
What are the key properties of [4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 387.80 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 1257441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).