ethane;1-(3-methoxypropyl)pyrazol-4-amine

C9H19N3O — CID 178006933

IUPACethane;1-(3-methoxypropyl)pyrazol-4-amine
SMILESCC.COCCCn1cc(N)cn1
InChIInChI=1S/C7H13N3O.C2H6/c1-11-4-2-3-10-6-7(8)5-9-10;1-2/h5-6H,2-4,8H2,1H3;1-2H3
InChIKeyXLTKCTPCRSODOO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.53
Rot. Bonds4

About ethane;1-(3-methoxypropyl)pyrazol-4-amine

ethane;1-(3-methoxypropyl)pyrazol-4-amine (PubChem CID 178006933) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;1-(3-methoxypropyl)pyrazol-4-amine.

Molecular Properties

Compound Nameethane;1-(3-methoxypropyl)pyrazol-4-amine
PubChem CID178006933
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Nameethane;1-(3-methoxypropyl)pyrazol-4-amine
SMILESCC.COCCCn1cc(N)cn1
InChIInChI=1S/C7H13N3O.C2H6/c1-11-4-2-3-10-6-7(8)5-9-10;1-2/h5-6H,2-4,8H2,1H3;1-2H3
InChIKeyXLTKCTPCRSODOO-UHFFFAOYSA-N
XLogP1.53
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine
CID 62137166
1-[2-[ethyl(2-methoxyethyl)amino]ethyl]pyrazol-4-amine
CID 62138819
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
CID 62137352
2,2,2-trifluoro-1-[1-(4-methoxybutyl)pyrazol-4-yl]ethanone
CID 104649580
1-(4,4-difluorobutyl)pyrazol-4-amine
CID 165472720
1-[2-(dibutylamino)ethyl]pyrazol-4-amine
CID 62138066
1-[2-(2-methylpropoxy)ethyl]pyrazol-4-amine
CID 62138272
[4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol
CID 172876868
1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine
CID 142144905
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxypropyl)pyrazol-4-amine?
The IUPAC name of ethane;1-(3-methoxypropyl)pyrazol-4-amine (CID 178006933) is ethane;1-(3-methoxypropyl)pyrazol-4-amine.
What is the SMILES notation for ethane;1-(3-methoxypropyl)pyrazol-4-amine?
The canonical SMILES for ethane;1-(3-methoxypropyl)pyrazol-4-amine is CC.COCCCn1cc(N)cn1.
What is the InChIKey of ethane;1-(3-methoxypropyl)pyrazol-4-amine?
The InChIKey is XLTKCTPCRSODOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.C2H6/c1-11-4-2-3-10-6-7(8)5-9-10;1-2/h5-6H,2-4,8H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-methoxypropyl)pyrazol-4-amine?
ethane;1-(3-methoxypropyl)pyrazol-4-amine has a molecular weight of 185.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxypropyl)pyrazol-4-amine is sourced from PubChem (CID 178006933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).