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

C19H18F2N6O — CID 155135694

IUPACN-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1ccccc1OCC(F)F
InChIInChI=1S/C19H18F2N6O/c1-12(14-4-2-3-5-16(14)28-11-17(20)21)25-18-6-7-27-19(26-18)15(10-24-27)13-8-22-23-9-13/h2-10,12,17H,11H2,1H3,(H,22,23)(H,25,26)
InChIKeyULQKZCDCQVTEMQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.94
Rot. Bonds7

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

N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 155135694) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID155135694
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC NameN-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1ccccc1OCC(F)F
InChIInChI=1S/C19H18F2N6O/c1-12(14-4-2-3-5-16(14)28-11-17(20)21)25-18-6-7-27-19(26-18)15(10-24-27)13-8-22-23-9-13/h2-10,12,17H,11H2,1H3,(H,22,23)(H,25,26)
InChIKeyULQKZCDCQVTEMQ-UHFFFAOYSA-N
XLogP3.94
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 155135694) is N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine is CC(Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1ccccc1OCC(F)F.
What is the InChIKey of N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ULQKZCDCQVTEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c1-12(14-4-2-3-5-16(14)28-11-17(20)21)25-18-6-7-27-19(26-18)15(10-24-27)13-8-22-23-9-13/h2-10,12,17H,11H2,1H3,(H,22,23)(H,25,26).
What are the key properties of N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 384.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 155135694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).