4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one

C15H25N3O — CID 155402038

IUPAC4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCCC(n2cc(C(C)C)cn2)C1
InChIInChI=1S/C15H25N3O/c1-12(2)14-9-16-18(10-14)15-5-4-7-17(11-15)8-6-13(3)19/h9-10,12,15H,4-8,11H2,1-3H3
InChIKeyUKKJHEGQKSUOIB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.62
Rot. Bonds5

About 4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one

4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one (PubChem CID 155402038) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one
PubChem CID155402038
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCCC(n2cc(C(C)C)cn2)C1
InChIInChI=1S/C15H25N3O/c1-12(2)14-9-16-18(10-14)15-5-4-7-17(11-15)8-6-13(3)19/h9-10,12,15H,4-8,11H2,1-3H3
InChIKeyUKKJHEGQKSUOIB-UHFFFAOYSA-N
XLogP2.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

S-methyl 3-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]propanethioate
CID 155405069
1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401121
6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401350
1-(8-methylnonyl)-3-(4-methylpyrazol-1-yl)piperidine
CID 155404629
2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 156511021
5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine
CID 155741023
(1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol
CID 165499325
tert-butyl 3-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidin-1-yl]propanoate
CID 168946156
2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid
CID 105480591
1-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepane
CID 126947336
3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one
CID 167386802
1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine
CID 155739616

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one?
The IUPAC name of 4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one (CID 155402038) is 4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one.
What is the SMILES notation for 4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one?
The canonical SMILES for 4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one is CC(=O)CCN1CCCC(n2cc(C(C)C)cn2)C1.
What is the InChIKey of 4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one?
The InChIKey is UKKJHEGQKSUOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)14-9-16-18(10-14)15-5-4-7-17(11-15)8-6-13(3)19/h9-10,12,15H,4-8,11H2,1-3H3.
What are the key properties of 4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one?
4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one is sourced from PubChem (CID 155402038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).