N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine

C16H18FN5 — CID 126473476

IUPACN-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccnc2c(-c3ccccc3F)cnn12
InChIInChI=1S/C16H18FN5/c1-21(2)10-9-18-15-7-8-19-16-13(11-20-22(15)16)12-5-3-4-6-14(12)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyRJOZEVLWTQPMBL-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.51
Rot. Bonds5

About N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 126473476) has the molecular formula C16H18FN5 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID126473476
Molecular FormulaC16H18FN5
Molecular Weight299.35 g/mol
Exact Mass299.15
IUPAC NameN-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccnc2c(-c3ccccc3F)cnn12
InChIInChI=1S/C16H18FN5/c1-21(2)10-9-18-15-7-8-19-16-13(11-20-22(15)16)12-5-3-4-6-14(12)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyRJOZEVLWTQPMBL-UHFFFAOYSA-N
XLogP2.51
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
CID 126474527
N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126472157
3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126474583
(2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol
CID 45489074
3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473551
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
3-(4-aminophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126473680
N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine
CID 169196864
[(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126469583
N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126472969
N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 59662460
3-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475589

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine (CID 126473476) is N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccnc2c(-c3ccccc3F)cnn12.
What is the InChIKey of N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is RJOZEVLWTQPMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5/c1-21(2)10-9-18-15-7-8-19-16-13(11-20-22(15)16)12-5-3-4-6-14(12)17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 299.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 126473476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).