1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride

C14H19ClN4 — CID 119917477

IUPAC1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C14H18N4.ClH/c15-13-6-9-17(11-13)10-12-2-4-14(5-3-12)18-8-1-7-16-18;/h1-5,7-8,13H,6,9-11,15H2;1H
InChIKeyANPJKOGHQGWRLO-UHFFFAOYSA-N
MW278.79 g/mol
LogP1.83
Rot. Bonds3

About 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride

1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119917477) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119917477
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C14H18N4.ClH/c15-13-6-9-17(11-13)10-12-2-4-14(5-3-12)18-8-1-7-16-18;/h1-5,7-8,13H,6,9-11,15H2;1H
InChIKeyANPJKOGHQGWRLO-UHFFFAOYSA-N
XLogP1.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 103576557
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 154906169
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
3-imidazol-1-yl-4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 75438067
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 119917477) is 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(Cc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is ANPJKOGHQGWRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4.ClH/c15-13-6-9-17(11-13)10-12-2-4-14(5-3-12)18-8-1-7-16-18;/h1-5,7-8,13H,6,9-11,15H2;1H.
What are the key properties of 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 278.79 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119917477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).