1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine

C17H24N4O — CID 120842677

IUPAC1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1Cc1ccnn1-c1ccccc1OC
InChIInChI=1S/C17H24N4O/c1-18-12-14-6-5-11-20(14)13-15-9-10-19-21(15)16-7-3-4-8-17(16)22-2/h3-4,7-10,14,18H,5-6,11-13H2,1-2H3
InChIKeyJJLWNDHXUVJMJD-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.06
Rot. Bonds6

About 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 120842677) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID120842677
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1Cc1ccnn1-c1ccccc1OC
InChIInChI=1S/C17H24N4O/c1-18-12-14-6-5-11-20(14)13-15-9-10-19-21(15)16-7-3-4-8-17(16)22-2/h3-4,7-10,14,18H,5-6,11-13H2,1-2H3
InChIKeyJJLWNDHXUVJMJD-UHFFFAOYSA-N
XLogP2.06
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842509
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
CID 120834427
N-(2-aminoethyl)-1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837260
[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837654
N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine
CID 120835735
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843343
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840739
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843116
(4aS,7aS)-6-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 139010341
1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928465
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986057
1-[1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928550

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 120842677) is 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1Cc1ccnn1-c1ccccc1OC.
What is the InChIKey of 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is JJLWNDHXUVJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-18-12-14-6-5-11-20(14)13-15-9-10-19-21(15)16-7-3-4-8-17(16)22-2/h3-4,7-10,14,18H,5-6,11-13H2,1-2H3.
What are the key properties of 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 300.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 120842677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).