5-ethoxy-1H-pyrazol-4-amine

C5H9N3O — CID 126543963

IUPAC5-ethoxy-1H-pyrazol-4-amine
SMILESCCOc1[nH]ncc1N
InChIInChI=1S/C5H9N3O/c1-2-9-5-4(6)3-7-8-5/h3H,2,6H2,1H3,(H,7,8)
InChIKeyFSOAFZWHTHRENM-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.39
Rot. Bonds2

About 5-ethoxy-1H-pyrazol-4-amine

5-ethoxy-1H-pyrazol-4-amine (PubChem CID 126543963) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-ethoxy-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-ethoxy-1H-pyrazol-4-amine
PubChem CID126543963
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-ethoxy-1H-pyrazol-4-amine
SMILESCCOc1[nH]ncc1N
InChIInChI=1S/C5H9N3O/c1-2-9-5-4(6)3-7-8-5/h3H,2,6H2,1H3,(H,7,8)
InChIKeyFSOAFZWHTHRENM-UHFFFAOYSA-N
XLogP0.39
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1H-pyrazole
CID 20251205
3-Ethoxy-4-nitro-1H-pyrazole
CID 3597812
3-(propan-2-yloxy)-1H-pyrazole
CID 68602893
3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine
CID 137942765
3-(2,2-difluoroethoxy)-1H-pyrazol-4-amine
CID 137942799
(4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate
CID 155225263
5-methoxy-1H-pyrazol-4-amine;hydrochloride
CID 170912625
3-Isopropoxy-4-nitro-1H-pyrazole
CID 4197339
5-butoxy-1H-pyrazole
CID 21543821
3-Propoxy-1H-pyrazole
CID 21543831
1,4,5,6-Tetrahydropyrazolo[5,4-b][1,4]oxazine
CID 59574269
5-prop-2-enoxy-1H-pyrazol-4-amine
CID 70521570

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1H-pyrazol-4-amine?
The IUPAC name of 5-ethoxy-1H-pyrazol-4-amine (CID 126543963) is 5-ethoxy-1H-pyrazol-4-amine.
What is the SMILES notation for 5-ethoxy-1H-pyrazol-4-amine?
The canonical SMILES for 5-ethoxy-1H-pyrazol-4-amine is CCOc1[nH]ncc1N.
What is the InChIKey of 5-ethoxy-1H-pyrazol-4-amine?
The InChIKey is FSOAFZWHTHRENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-9-5-4(6)3-7-8-5/h3H,2,6H2,1H3,(H,7,8).
What are the key properties of 5-ethoxy-1H-pyrazol-4-amine?
5-ethoxy-1H-pyrazol-4-amine has a molecular weight of 127.15 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1H-pyrazol-4-amine is sourced from PubChem (CID 126543963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).