[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone

C19H20FN5O — CID 43865279

IUPAC[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(C)CC2)cnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C19H20FN5O/c1-13-16(19(26)24-9-7-23(2)8-10-24)11-21-18-17(12-22-25(13)18)14-3-5-15(20)6-4-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYJRMVHMTSOKKOW-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.23
Rot. Bonds2

About [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone

[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 43865279) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID43865279
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(C)CC2)cnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C19H20FN5O/c1-13-16(19(26)24-9-7-23(2)8-10-24)11-21-18-17(12-22-25(13)18)14-3-5-15(20)6-4-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYJRMVHMTSOKKOW-UHFFFAOYSA-N
XLogP2.23
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone (CID 43865279) is [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(C)CC2)cnc2c(-c3ccc(F)cc3)cnn12.
What is the InChIKey of [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YJRMVHMTSOKKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-13-16(19(26)24-9-7-23(2)8-10-24)11-21-18-17(12-22-25(13)18)14-3-5-15(20)6-4-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 353.40 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 43865279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).