N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine

C13H14ClFN4O — CID 57147312

IUPACN-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine
SMILESFc1ccc(Nc2cn[nH]c2N2CCOCC2)cc1Cl
InChIInChI=1S/C13H14ClFN4O/c14-10-7-9(1-2-11(10)15)17-12-8-16-18-13(12)19-3-5-20-6-4-19/h1-2,7-8,17H,3-6H2,(H,16,18)
InChIKeyWGDIYOJCLRXFKA-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.78
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine

N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine (PubChem CID 57147312) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine
PubChem CID57147312
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine
SMILESFc1ccc(Nc2cn[nH]c2N2CCOCC2)cc1Cl
InChIInChI=1S/C13H14ClFN4O/c14-10-7-9(1-2-11(10)15)17-12-8-16-18-13(12)19-3-5-20-6-4-19/h1-2,7-8,17H,3-6H2,(H,16,18)
InChIKeyWGDIYOJCLRXFKA-UHFFFAOYSA-N
XLogP2.78
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-pyrazol-3-amine
CID 24743568
1-(4-chloro-2-fluorophenyl)-3-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]urea
CID 164633105
4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 56974554
4-N-(3-chlorophenyl)-5-N-(3-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 57160974
(Z)-N'-(5-chloro-2-fluorophenyl)-1-[5-(methylamino)pyrazol-1-yl]-N-(2-morpholin-4-ylpropyl)prop-1-ene-1,3-diamine
CID 132065635
4-[(3-fluorophenyl)diazenyl]-3-morpholin-4-yl-1H-pyrazol-5-amine
CID 136397937
4-[(3-fluorophenyl)diazenyl]-N-methyl-3-morpholin-4-yl-1H-pyrazol-5-amine
CID 136398079
1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 144663317
N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
CID 145468375
4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 82234944
4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 82234948
4-N-(5-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 82234960

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine (CID 57147312) is N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine is Fc1ccc(Nc2cn[nH]c2N2CCOCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine?
The InChIKey is WGDIYOJCLRXFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c14-10-7-9(1-2-11(10)15)17-12-8-16-18-13(12)19-3-5-20-6-4-19/h1-2,7-8,17H,3-6H2,(H,16,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine?
N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine has a molecular weight of 296.73 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine is sourced from PubChem (CID 57147312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).