3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

C17H18FN5 — CID 126471580

IUPAC3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(c2ccnc3c(-c4cccc(F)c4)cnn23)CC1
InChIInChI=1S/C17H18FN5/c1-21-7-9-22(10-8-21)16-5-6-19-17-15(12-20-23(16)17)13-3-2-4-14(18)11-13/h2-6,11-12H,7-10H2,1H3
InChIKeyWHFBOGMWCWFGGR-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.29
Rot. Bonds2

About 3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 126471580) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID126471580
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(c2ccnc3c(-c4cccc(F)c4)cnn23)CC1
InChIInChI=1S/C17H18FN5/c1-21-7-9-22(10-8-21)16-5-6-19-17-15(12-20-23(16)17)13-3-2-4-14(18)11-13/h2-6,11-12H,7-10H2,1H3
InChIKeyWHFBOGMWCWFGGR-UHFFFAOYSA-N
XLogP2.29
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471525
8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 126472620
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473838
7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 11149552
N-[3-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 69131119
7-methoxy-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 13465938
6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68705646
4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11151417
6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143649548
6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11697777
3-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
CID 126474263
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103260

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 126471580) is 3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is CN1CCN(c2ccnc3c(-c4cccc(F)c4)cnn23)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WHFBOGMWCWFGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-21-7-9-22(10-8-21)16-5-6-19-17-15(12-20-23(16)17)13-3-2-4-14(18)11-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 311.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126471580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).