2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine

C13H25N3O — CID 142163150

IUPAC2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine
SMILESCCCN(CCC)c1ccnn1CCCOC
InChIInChI=1S/C13H25N3O/c1-4-9-15(10-5-2)13-7-8-14-16(13)11-6-12-17-3/h7-8H,4-6,9-12H2,1-3H3
InChIKeyAJYBJTGQPNYEFK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.55
Rot. Bonds9

About 2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine

2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine (PubChem CID 142163150) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine
PubChem CID142163150
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine
SMILESCCCN(CCC)c1ccnn1CCCOC
InChIInChI=1S/C13H25N3O/c1-4-9-15(10-5-2)13-7-8-14-16(13)11-6-12-17-3/h7-8H,4-6,9-12H2,1-3H3
InChIKeyAJYBJTGQPNYEFK-UHFFFAOYSA-N
XLogP2.55
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybutyl)-N,N-dimethylpyrazol-3-amine
CID 142163134
1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one
CID 114278097
1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-methylhexan-1-one
CID 114278096
4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine
CID 114278042
N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70020006
[2-[3-(2-methoxyethoxy)propyl]pyrazol-3-yl]methanamine
CID 103413473
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077
2-[2-(3-methoxypropyl)pyrazol-3-yl]-2-methylazepane
CID 114278021
3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine
CID 102144249
[2-(2-methoxyethyl)pyrazol-3-yl]methanol
CID 118157229
1-butyl-5-ethylpyrazole
CID 23006159
(3-bromothiophen-2-yl)-[2-(3-methoxypropyl)pyrazol-3-yl]methanamine
CID 114278098

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine?
The IUPAC name of 2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine (CID 142163150) is 2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine.
What is the SMILES notation for 2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine?
The canonical SMILES for 2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine is CCCN(CCC)c1ccnn1CCCOC.
What is the InChIKey of 2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine?
The InChIKey is AJYBJTGQPNYEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-9-15(10-5-2)13-7-8-14-16(13)11-6-12-17-3/h7-8H,4-6,9-12H2,1-3H3.
What are the key properties of 2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine?
2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine has a molecular weight of 239.36 g/mol, XLogP of 2.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine is sourced from PubChem (CID 142163150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).