1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone

C18H24N4O — CID 29124132

IUPAC1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2c(C)c(-c3ccccc3)nn2C)CC1
InChIInChI=1S/C18H24N4O/c1-13-17(15-7-5-4-6-8-15)20-21(3)18(13)19-16-9-11-22(12-10-16)14(2)23/h4-8,16,19H,9-12H2,1-3H3
InChIKeyVLEBPVVTGXIGML-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.82
Rot. Bonds3

About 1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone

1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone (PubChem CID 29124132) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone
PubChem CID29124132
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2c(C)c(-c3ccccc3)nn2C)CC1
InChIInChI=1S/C18H24N4O/c1-13-17(15-7-5-4-6-8-15)20-21(3)18(13)19-16-9-11-22(12-10-16)14(2)23/h4-8,16,19H,9-12H2,1-3H3
InChIKeyVLEBPVVTGXIGML-UHFFFAOYSA-N
XLogP2.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1,3-dimethylpyrrolidine-3-carboxamide
CID 134699020
N-(4-iodo-1-methyl-3-phenylpyrazol-5-yl)acetamide
CID 86717324
(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 125166444
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 123184963
4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171911640
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 134704073
ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate
CID 43554079
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
[4-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 55827795

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone (CID 29124132) is 1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2c(C)c(-c3ccccc3)nn2C)CC1.
What is the InChIKey of 1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is VLEBPVVTGXIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-17(15-7-5-4-6-8-15)20-21(3)18(13)19-16-9-11-22(12-10-16)14(2)23/h4-8,16,19H,9-12H2,1-3H3.
What are the key properties of 1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 29124132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).