(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C17H23ClN4O — CID 119489971

IUPAC(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-18-16-8-5-9-20(13-16)17(22)15-10-19-21(12-15)11-14-6-3-2-4-7-14;/h2-4,6-7,10,12,16,18H,5,8-9,11,13H2,1H3;1H
InChIKeyAGGOKAAMHOUHOF-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.18
Rot. Bonds4

About (1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119489971) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119489971
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-18-16-8-5-9-20(13-16)17(22)15-10-19-21(12-15)11-14-6-3-2-4-7-14;/h2-4,6-7,10,12,16,18H,5,8-9,11,13H2,1H3;1H
InChIKeyAGGOKAAMHOUHOF-UHFFFAOYSA-N
XLogP2.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 71913212
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649968
(1-benzylpyrazol-4-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 51937170
(5S)-N-(1-benzoylpiperidin-3-yl)-7-(1-benzylpyrazole-4-carbonyl)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide
CID 164604898
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
(1-benzylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636679
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45211487
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
[3-(1-aminoethyl)piperidin-1-yl]-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119596054

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119489971) is (1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1.Cl.
What is the InChIKey of (1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is AGGOKAAMHOUHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-18-16-8-5-9-20(13-16)17(22)15-10-19-21(12-15)11-14-6-3-2-4-7-14;/h2-4,6-7,10,12,16,18H,5,8-9,11,13H2,1H3;1H.
What are the key properties of (1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119489971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).