4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine

C15H20N4O — CID 117433925

IUPAC4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C15H20N4O/c16-15-14(11-17-18-15)13-3-1-12(2-4-13)5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H3,16,17,18)
InChIKeyPCFGZIUEQWQVDF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.53
Rot. Bonds4

About 4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine

4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117433925) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine
PubChem CID117433925
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C15H20N4O/c16-15-14(11-17-18-15)13-3-1-12(2-4-13)5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H3,16,17,18)
InChIKeyPCFGZIUEQWQVDF-UHFFFAOYSA-N
XLogP1.53
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine (CID 117433925) is 4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of 4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is PCFGZIUEQWQVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-15-14(11-17-18-15)13-3-1-12(2-4-13)5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H3,16,17,18).
What are the key properties of 4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine?
4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 272.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-ylethyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117433925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).