3-morpholin-4-yl-1H-pyrazol-5-amine

C7H12N4O — CID 4067927

IUPAC3-morpholin-4-yl-1H-pyrazol-5-amine
SMILESNc1cc(N2CCOCC2)n[nH]1
InChIInChI=1S/C7H12N4O/c8-6-5-7(10-9-6)11-1-3-12-4-2-11/h5H,1-4H2,(H3,8,9,10)
InChIKeyRUXSLDDVUHUPHQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.17
Rot. Bonds1

About 3-morpholin-4-yl-1H-pyrazol-5-amine

3-morpholin-4-yl-1H-pyrazol-5-amine (PubChem CID 4067927) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-morpholin-4-yl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-1H-pyrazol-5-amine
PubChem CID4067927
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-morpholin-4-yl-1H-pyrazol-5-amine
SMILESNc1cc(N2CCOCC2)n[nH]1
InChIInChI=1S/C7H12N4O/c8-6-5-7(10-9-6)11-1-3-12-4-2-11/h5H,1-4H2,(H3,8,9,10)
InChIKeyRUXSLDDVUHUPHQ-UHFFFAOYSA-N
XLogP-0.17
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1H-pyrazol-5-amine?
The IUPAC name of 3-morpholin-4-yl-1H-pyrazol-5-amine (CID 4067927) is 3-morpholin-4-yl-1H-pyrazol-5-amine.
What is the SMILES notation for 3-morpholin-4-yl-1H-pyrazol-5-amine?
The canonical SMILES for 3-morpholin-4-yl-1H-pyrazol-5-amine is Nc1cc(N2CCOCC2)n[nH]1.
What is the InChIKey of 3-morpholin-4-yl-1H-pyrazol-5-amine?
The InChIKey is RUXSLDDVUHUPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-6-5-7(10-9-6)11-1-3-12-4-2-11/h5H,1-4H2,(H3,8,9,10).
What are the key properties of 3-morpholin-4-yl-1H-pyrazol-5-amine?
3-morpholin-4-yl-1H-pyrazol-5-amine has a molecular weight of 168.20 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1H-pyrazol-5-amine is sourced from PubChem (CID 4067927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).