N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine

C16H22N4 — CID 120834087

IUPACN-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccnn2-c2ccccc2C)C1
InChIInChI=1S/C16H22N4/c1-13-5-3-4-6-16(13)20-15(7-9-18-20)12-19-10-8-14(11-19)17-2/h3-7,9,14,17H,8,10-12H2,1-2H3
InChIKeyGAUFDQVEKRJRHR-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.97
Rot. Bonds4

About N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine

N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine (PubChem CID 120834087) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine
PubChem CID120834087
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccnn2-c2ccccc2C)C1
InChIInChI=1S/C16H22N4/c1-13-5-3-4-6-16(13)20-15(7-9-18-20)12-19-10-8-14(11-19)17-2/h3-7,9,14,17H,8,10-12H2,1-2H3
InChIKeyGAUFDQVEKRJRHR-UHFFFAOYSA-N
XLogP1.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 120834032
N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine
CID 120835735
(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954
(3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
CID 120845564
3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
CID 120840201
N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837287
N-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine
CID 81492893
N-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 166218883
[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837654
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843343
2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908194
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840739

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine (CID 120834087) is N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine is CNC1CCN(Cc2ccnn2-c2ccccc2C)C1.
What is the InChIKey of N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine?
The InChIKey is GAUFDQVEKRJRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-5-3-4-6-16(13)20-15(7-9-18-20)12-19-10-8-14(11-19)17-2/h3-7,9,14,17H,8,10-12H2,1-2H3.
What are the key properties of N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine?
N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120834087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).