1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine

C12H22N4O — CID 64569426

IUPAC1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine
SMILESCOCC1CCN(CCCn2ccc(N)n2)C1
InChIInChI=1S/C12H22N4O/c1-17-10-11-3-7-15(9-11)5-2-6-16-8-4-12(13)14-16/h4,8,11H,2-3,5-7,9-10H2,1H3,(H2,13,14)
InChIKeyPUKQHCAFDWRKRL-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.82
Rot. Bonds6

About 1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine

1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine (PubChem CID 64569426) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine
PubChem CID64569426
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine
SMILESCOCC1CCN(CCCn2ccc(N)n2)C1
InChIInChI=1S/C12H22N4O/c1-17-10-11-3-7-15(9-11)5-2-6-16-8-4-12(13)14-16/h4,8,11H,2-3,5-7,9-10H2,1H3,(H2,13,14)
InChIKeyPUKQHCAFDWRKRL-UHFFFAOYSA-N
XLogP0.82
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine
CID 102956385
1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]pyrazol-3-amine
CID 81198155
1-[2-(3-aminopyrazol-1-yl)ethyl]-4-methylpiperidin-3-ol
CID 102955985
1-(3-morpholin-4-ylpropyl)pyrazol-3-amine
CID 63310505
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone
CID 55206182
5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689
2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64570830
ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate
CID 107876855
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092
1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine
CID 114248067
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine (CID 64569426) is 1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine is COCC1CCN(CCCn2ccc(N)n2)C1.
What is the InChIKey of 1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine?
The InChIKey is PUKQHCAFDWRKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-17-10-11-3-7-15(9-11)5-2-6-16-8-4-12(13)14-16/h4,8,11H,2-3,5-7,9-10H2,1H3,(H2,13,14).
What are the key properties of 1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine?
1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine has a molecular weight of 238.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine is sourced from PubChem (CID 64569426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).