[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone

C24H34N4O — CID 110092580

IUPAC[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESCN(C)Cc1cc(C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)nn1C
InChIInChI=1S/C24H34N4O/c1-26(2)18-21-17-22(25-27(21)3)19-11-15-28(16-12-19)23(29)24(13-7-8-14-24)20-9-5-4-6-10-20/h4-6,9-10,17,19H,7-8,11-16,18H2,1-3H3
InChIKeyQKYLERFRAUUCEE-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.70
Rot. Bonds5

About [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone

[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone (PubChem CID 110092580) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
PubChem CID110092580
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESCN(C)Cc1cc(C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)nn1C
InChIInChI=1S/C24H34N4O/c1-26(2)18-21-17-22(25-27(21)3)19-11-15-28(16-12-19)23(29)24(13-7-8-14-24)20-9-5-4-6-10-20/h4-6,9-10,17,19H,7-8,11-16,18H2,1-3H3
InChIKeyQKYLERFRAUUCEE-UHFFFAOYSA-N
XLogP3.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone with MolForge

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Related Compounds

(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110103059
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 92624522
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone
CID 92624514
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
(2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide
CID 125011836
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide
CID 71968697
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
1-[3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 110259763
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110259293
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
The IUPAC name of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone (CID 110092580) is [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
The canonical SMILES for [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone is CN(C)Cc1cc(C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)nn1C.
What is the InChIKey of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
The InChIKey is QKYLERFRAUUCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-26(2)18-21-17-22(25-27(21)3)19-11-15-28(16-12-19)23(29)24(13-7-8-14-24)20-9-5-4-6-10-20/h4-6,9-10,17,19H,7-8,11-16,18H2,1-3H3.
What are the key properties of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone has a molecular weight of 394.56 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 110092580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).