1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C21H30N6O — CID 22097366

IUPAC1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCc1c(C(=O)CCN2CCC(N3CCCCC3)CC2)cnn1-c1ncccn1
InChIInChI=1S/C21H30N6O/c1-17-19(16-24-27(17)21-22-9-5-10-23-21)20(28)8-15-25-13-6-18(7-14-25)26-11-3-2-4-12-26/h5,9-10,16,18H,2-4,6-8,11-15H2,1H3
InChIKeyIQFATLQGOMDHGC-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.49
Rot. Bonds6

About 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 22097366) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID22097366
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCc1c(C(=O)CCN2CCC(N3CCCCC3)CC2)cnn1-c1ncccn1
InChIInChI=1S/C21H30N6O/c1-17-19(16-24-27(17)21-22-9-5-10-23-21)20(28)8-15-25-13-6-18(7-14-25)26-11-3-2-4-12-26/h5,9-10,16,18H,2-4,6-8,11-15H2,1H3
InChIKeyIQFATLQGOMDHGC-UHFFFAOYSA-N
XLogP2.49
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

(1-Tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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CID 53514187
(4-Methylpyrimidin-5-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53561207
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-2-(dimethylamino)-4-methyl-5-pyrimidinecarboxamide
CID 72882817
1-[[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 95829334
1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
CID 95829336
5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 95848664
N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 95848665
(E)-3-(dimethylamino)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)prop-2-en-1-one
CID 5715483
1-(2-Cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 2819451
US11186582, Example 431
CID 118471576
(3-Methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 16671121

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 22097366) is 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is Cc1c(C(=O)CCN2CCC(N3CCCCC3)CC2)cnn1-c1ncccn1.
What is the InChIKey of 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is IQFATLQGOMDHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-17-19(16-24-27(17)21-22-9-5-10-23-21)20(28)8-15-25-13-6-18(7-14-25)26-11-3-2-4-12-26/h5,9-10,16,18H,2-4,6-8,11-15H2,1H3.
What are the key properties of 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 382.51 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 22097366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).