3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one

C19H26N4O — CID 146094217

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one
SMILESCc1n[nH]c(C)c1C(C)CC(=O)N1CCCC(c2ccncc2)C1
InChIInChI=1S/C19H26N4O/c1-13(19-14(2)21-22-15(19)3)11-18(24)23-10-4-5-17(12-23)16-6-8-20-9-7-16/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,21,22)
InChIKeyRXMUQRBVNUTJKW-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.32
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one (PubChem CID 146094217) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one
PubChem CID146094217
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one
SMILESCc1n[nH]c(C)c1C(C)CC(=O)N1CCCC(c2ccncc2)C1
InChIInChI=1S/C19H26N4O/c1-13(19-14(2)21-22-15(19)3)11-18(24)23-10-4-5-17(12-23)16-6-8-20-9-7-16/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,21,22)
InChIKeyRXMUQRBVNUTJKW-UHFFFAOYSA-N
XLogP3.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one with MolForge

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Related Compounds

(3R)-1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butan-1-one
CID 124590794
(3S)-1-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124587850
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
1-[(3S)-3-phenylpiperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 95207742
(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide
CID 97250457
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96514407
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide
CID 97329837
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one
CID 146088793
N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 136518035
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate
CID 122158230
(3S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146575

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one (CID 146094217) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one is Cc1n[nH]c(C)c1C(C)CC(=O)N1CCCC(c2ccncc2)C1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one?
The InChIKey is RXMUQRBVNUTJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(19-14(2)21-22-15(19)3)11-18(24)23-10-4-5-17(12-23)16-6-8-20-9-7-16/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,21,22).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyridin-4-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 146094217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).