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

C15H20N4 — CID 120834032

IUPACN-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccnn2-c2ccccc2)C1
InChIInChI=1S/C15H20N4/c1-16-13-8-10-18(11-13)12-15-7-9-17-19(15)14-5-3-2-4-6-14/h2-7,9,13,16H,8,10-12H2,1H3
InChIKeyCFNVDDWKGIVTAD-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.67
Rot. Bonds4

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

N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 120834032) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID120834032
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccnn2-c2ccccc2)C1
InChIInChI=1S/C15H20N4/c1-16-13-8-10-18(11-13)12-15-7-9-17-19(15)14-5-3-2-4-6-14/h2-7,9,13,16H,8,10-12H2,1H3
InChIKeyCFNVDDWKGIVTAD-UHFFFAOYSA-N
XLogP1.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine
CID 120834087
(3R,4S)-4-hydroxy-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 164690116
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 95875963
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
5-benzyl-1-phenylpyrazole
CID 14003889
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1-[(2-phenylpyrazol-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120834226
[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836012
2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine
CID 157015628
N-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine
CID 81492893

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine (CID 120834032) is N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine is CNC1CCN(Cc2ccnn2-c2ccccc2)C1.
What is the InChIKey of N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is CFNVDDWKGIVTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-13-8-10-18(11-13)12-15-7-9-17-19(15)14-5-3-2-4-6-14/h2-7,9,13,16H,8,10-12H2,1H3.
What are the key properties of N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 1.67, 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-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120834032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).