(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C18H25ClN4O — CID 119563358

IUPAC(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)CC1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-14-17(18(23)21-10-8-16(19-2)9-11-21)12-20-22(14)13-15-6-4-3-5-7-15;/h3-7,12,16,19H,8-11,13H2,1-2H3;1H
InChIKeyPXKZWIXUMDGCCH-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.49
Rot. Bonds4

About (1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119563358) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is (1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119563358
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)CC1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-14-17(18(23)21-10-8-16(19-2)9-11-21)12-20-22(14)13-15-6-4-3-5-7-15;/h3-7,12,16,19H,8-11,13H2,1-2H3;1H
InChIKeyPXKZWIXUMDGCCH-UHFFFAOYSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 75440738
(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023082
(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 86991026
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-5-methylpyrazol-4-yl)methanone
CID 119596149
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561305
1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118733
4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
CID 86969204
benzyl 1-(1-benzyl-5-methylpyrazole-4-carbonyl)azetidine-3-carboxylate
CID 75450681
2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697770
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(1-benzyl-5-methylpyrazol-4-yl)methanone
CID 56817963
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119563358) is (1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)CC1.Cl.
What is the InChIKey of (1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is PXKZWIXUMDGCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-14-17(18(23)21-10-8-16(19-2)9-11-21)12-20-22(14)13-15-6-4-3-5-7-15;/h3-7,12,16,19H,8-11,13H2,1-2H3;1H.
What are the key properties of (1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119563358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).