1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C21H26ClN5 — CID 120909014

IUPAC1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1N.Cl
InChIInChI=1S/C21H25N5.ClH/c1-16-11-25(15-20(16)22)13-19-14-26(12-17-6-3-2-4-7-17)24-21(19)18-8-5-9-23-10-18;/h2-10,14,16,20H,11-13,15,22H2,1H3;1H
InChIKeyKAIMAJRSKPVAJE-UHFFFAOYSA-N
MW383.93 g/mol
LogP3.19
Rot. Bonds5

About 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909014) has the molecular formula C21H26ClN5 and a molecular weight of 383.93 g/mol. Its IUPAC name is 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909014
Molecular FormulaC21H26ClN5
Molecular Weight383.93 g/mol
Exact Mass383.19
IUPAC Name1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1N.Cl
InChIInChI=1S/C21H25N5.ClH/c1-16-11-25(15-20(16)22)13-19-14-26(12-17-6-3-2-4-7-17)24-21(19)18-8-5-9-23-10-18;/h2-10,14,16,20H,11-13,15,22H2,1H3;1H
InChIKeyKAIMAJRSKPVAJE-UHFFFAOYSA-N
XLogP3.19
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770095
2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907820
4-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909460
(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 27655061
(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-bromophenyl)ethanamine
CID 27655096
1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909299
4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909162
(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 52501408
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51923541
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 119125389

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909014) is 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1N.Cl.
What is the InChIKey of 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is KAIMAJRSKPVAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5.ClH/c1-16-11-25(15-20(16)22)13-19-14-26(12-17-6-3-2-4-7-17)24-21(19)18-8-5-9-23-10-18;/h2-10,14,16,20H,11-13,15,22H2,1H3;1H.
What are the key properties of 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 383.93 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).