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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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).