(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

C23H26N4O — CID 75440738

IUPAC(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(Cc3cccnc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C23H26N4O/c1-18-22(16-25-27(18)17-20-6-3-2-4-7-20)23(28)26-12-9-19(10-13-26)14-21-8-5-11-24-15-21/h2-8,11,15-16,19H,9-10,12-14,17H2,1H3
InChIKeyQXNVNDGPRGSBED-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.73
Rot. Bonds5

About (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 75440738) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID75440738
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(Cc3cccnc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C23H26N4O/c1-18-22(16-25-27(18)17-20-6-3-2-4-7-20)23(28)26-12-9-19(10-13-26)14-21-8-5-11-24-15-21/h2-8,11,15-16,19H,9-10,12-14,17H2,1H3
InChIKeyQXNVNDGPRGSBED-UHFFFAOYSA-N
XLogP3.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563358
(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023082
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118733
(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 86991026
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 134035746
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-5-methylpyrazol-4-yl)methanone
CID 119596149
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
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

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 75440738) is (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(Cc3cccnc3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is QXNVNDGPRGSBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18-22(16-25-27(18)17-20-6-3-2-4-7-20)23(28)26-12-9-19(10-13-26)14-21-8-5-11-24-15-21/h2-8,11,15-16,19H,9-10,12-14,17H2,1H3.
What are the key properties of (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 75440738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).