4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine

C13H14F2N4O — CID 115112119

IUPAC4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc(F)c(F)cc1N1CCOCC1
InChIInChI=1S/C13H14F2N4O/c14-10-5-8(9-7-17-18-13(9)16)12(6-11(10)15)19-1-3-20-4-2-19/h5-7H,1-4H2,(H3,16,17,18)
InChIKeyPSXMZPWOJRZVRX-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.77
Rot. Bonds2

About 4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine

4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine (PubChem CID 115112119) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
PubChem CID115112119
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc(F)c(F)cc1N1CCOCC1
InChIInChI=1S/C13H14F2N4O/c14-10-5-8(9-7-17-18-13(9)16)12(6-11(10)15)19-1-3-20-4-2-19/h5-7H,1-4H2,(H3,16,17,18)
InChIKeyPSXMZPWOJRZVRX-UHFFFAOYSA-N
XLogP1.77
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117341693
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
CID 117437328
4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117367818
4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117311888
1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine
CID 117110980
4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117319576
3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 115112637
4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
CID 117283395
5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 167872345
4-(2-piperidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117358181
2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine
CID 115113235

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine (CID 115112119) is 4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cc(F)c(F)cc1N1CCOCC1.
What is the InChIKey of 4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine?
The InChIKey is PSXMZPWOJRZVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c14-10-5-8(9-7-17-18-13(9)16)12(6-11(10)15)19-1-3-20-4-2-19/h5-7H,1-4H2,(H3,16,17,18).
What are the key properties of 4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine?
4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine has a molecular weight of 280.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 115112119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).