4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine

C13H16N4O — CID 68941490

IUPAC4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(N2CCOCC2)c1
InChIInChI=1S/C13H16N4O/c14-13-12(9-15-16-13)10-2-1-3-11(8-10)17-4-6-18-7-5-17/h1-3,8-9H,4-7H2,(H3,14,15,16)
InChIKeyFQALIXLDBIFSFP-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.50
Rot. Bonds2

About 4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine

4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine (PubChem CID 68941490) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
PubChem CID68941490
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(N2CCOCC2)c1
InChIInChI=1S/C13H16N4O/c14-13-12(9-15-16-13)10-2-1-3-11(8-10)17-4-6-18-7-5-17/h1-3,8-9H,4-7H2,(H3,14,15,16)
InChIKeyFQALIXLDBIFSFP-UHFFFAOYSA-N
XLogP1.50
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Fluoro-14-oxa-7,11,18,19,22-pentazapentacyclo[13.5.2.28,11.12,6.018,21]pentacosa-1(21),2,4,6(25),15(22),16,19-heptaene
CID 118975170
5-amino-3-{(Z)-1-cyano-2-[4-(morpholin-4-yl)phenyl]ethenyl}-1H-pyrazole-4-carbonitrile
CID 5726381
4-(3-phenyl-1H-pyrazol-5-yl)morpholine
CID 12247264
4-(4-phenyl-1H-pyrazol-5-yl)morpholine
CID 13144067
4-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazol-3-amine
CID 89331595
4-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
CID 135401192
4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
CID 135433017
4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
CID 135457038
5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine
CID 115111616
4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine
CID 115112103
4-[3-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine
CID 115112104
4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine
CID 115112116

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine (CID 68941490) is 4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc(N2CCOCC2)c1.
What is the InChIKey of 4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine?
The InChIKey is FQALIXLDBIFSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-13-12(9-15-16-13)10-2-1-3-11(8-10)17-4-6-18-7-5-17/h1-3,8-9H,4-7H2,(H3,14,15,16).
What are the key properties of 4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine?
4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine has a molecular weight of 244.30 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 68941490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).