3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C19H20F2N6 — CID 155135700

IUPAC3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(C3C=NNC3)c2n1)c1cc(F)ccc1CCF
InChIInChI=1S/C19H20F2N6/c1-12(16-8-15(21)3-2-13(16)4-6-20)25-18-5-7-27-19(26-18)17(11-24-27)14-9-22-23-10-14/h2-3,5,7-9,11-12,14,23H,4,6,10H2,1H3,(H,25,26)
InChIKeyDXQSCFPXSAQMTA-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.23
Rot. Bonds6

About 3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 155135700) has the molecular formula C19H20F2N6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID155135700
Molecular FormulaC19H20F2N6
Molecular Weight370.41 g/mol
Exact Mass370.17
IUPAC Name3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(C3C=NNC3)c2n1)c1cc(F)ccc1CCF
InChIInChI=1S/C19H20F2N6/c1-12(16-8-15(21)3-2-13(16)4-6-20)25-18-5-7-27-19(26-18)17(11-24-27)14-9-22-23-10-14/h2-3,5,7-9,11-12,14,23H,4,6,10H2,1H3,(H,25,26)
InChIKeyDXQSCFPXSAQMTA-UHFFFAOYSA-N
XLogP3.23
TPSA66.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 155135700) is 3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is CC(Nc1ccn2ncc(C3C=NNC3)c2n1)c1cc(F)ccc1CCF.
What is the InChIKey of 3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is DXQSCFPXSAQMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6/c1-12(16-8-15(21)3-2-13(16)4-6-20)25-18-5-7-27-19(26-18)17(11-24-27)14-9-22-23-10-14/h2-3,5,7-9,11-12,14,23H,4,6,10H2,1H3,(H,25,26).
What are the key properties of 3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 370.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-pyrazol-4-yl)-N-[1-[5-fluoro-2-(2-fluoroethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 155135700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).