1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride

C15H22Cl2N4 — CID 154906169

IUPAC1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(Cc2ccccc2Cn2cccn2)C1
InChIInChI=1S/C15H20N4.2ClH/c16-15-6-9-18(12-15)10-13-4-1-2-5-14(13)11-19-8-3-7-17-19;;/h1-5,7-8,15H,6,9-12,16H2;2*1H
InChIKeyBWCAIVLJDSIJLU-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.31
Rot. Bonds4

About 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride

1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 154906169) has the molecular formula C15H22Cl2N4 and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID154906169
Molecular FormulaC15H22Cl2N4
Molecular Weight329.27 g/mol
Exact Mass328.12
IUPAC Name1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(Cc2ccccc2Cn2cccn2)C1
InChIInChI=1S/C15H20N4.2ClH/c16-15-6-9-18(12-15)10-13-4-1-2-5-14(13)11-19-8-3-7-17-19;;/h1-5,7-8,15H,6,9-12,16H2;2*1H
InChIKeyBWCAIVLJDSIJLU-UHFFFAOYSA-N
XLogP2.31
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 56854930
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane
CID 156608734
(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 124757280
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905304
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495315
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride (CID 154906169) is 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride is Cl.Cl.NC1CCN(Cc2ccccc2Cn2cccn2)C1.
What is the InChIKey of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is BWCAIVLJDSIJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.2ClH/c16-15-6-9-18(12-15)10-13-4-1-2-5-14(13)11-19-8-3-7-17-19;;/h1-5,7-8,15H,6,9-12,16H2;2*1H.
What are the key properties of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride?
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 329.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 154906169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).