(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone

C12H18ClN3O — CID 114668046

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone
SMILESCC(C)n1ncc(Cl)c1C(=O)C1CCCCN1
InChIInChI=1S/C12H18ClN3O/c1-8(2)16-11(9(13)7-15-16)12(17)10-5-3-4-6-14-10/h7-8,10,14H,3-6H2,1-2H3
InChIKeyQXYCGGUTPAIJOF-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.44
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone

(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone (PubChem CID 114668046) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone
PubChem CID114668046
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone
SMILESCC(C)n1ncc(Cl)c1C(=O)C1CCCCN1
InChIInChI=1S/C12H18ClN3O/c1-8(2)16-11(9(13)7-15-16)12(17)10-5-3-4-6-14-10/h7-8,10,14H,3-6H2,1-2H3
InChIKeyQXYCGGUTPAIJOF-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone
CID 114668048
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-3-ylmethanone
CID 114668061
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thian-2-yl)methanone
CID 114641823
(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114670428
(2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114669693
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone
CID 114640773
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-2-carboxamide
CID 61258312
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114641341
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone
CID 103451058
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 114641237
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone
CID 106600855
1H-imidazol-5-yl(piperidin-2-yl)methanone
CID 84732201

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone (CID 114668046) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone is CC(C)n1ncc(Cl)c1C(=O)C1CCCCN1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone?
The InChIKey is QXYCGGUTPAIJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(2)16-11(9(13)7-15-16)12(17)10-5-3-4-6-14-10/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone has a molecular weight of 255.75 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 114668046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).