(4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone

C11H16ClN3O — CID 19578022

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone
SMILESCc1c(Cl)c(C(=O)N2CCCCC2)nn1C
InChIInChI=1S/C11H16ClN3O/c1-8-9(12)10(13-14(8)2)11(16)15-6-4-3-5-7-15/h3-7H2,1-2H3
InChIKeyFDECEUMAWVTSKB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.01
Rot. Bonds1

About (4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone

(4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 19578022) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone
PubChem CID19578022
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone
SMILESCc1c(Cl)c(C(=O)N2CCCCC2)nn1C
InChIInChI=1S/C11H16ClN3O/c1-8-9(12)10(13-14(8)2)11(16)15-6-4-3-5-7-15/h3-7H2,1-2H3
InChIKeyFDECEUMAWVTSKB-UHFFFAOYSA-N
XLogP2.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone (CID 19578022) is (4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone is Cc1c(Cl)c(C(=O)N2CCCCC2)nn1C.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is FDECEUMAWVTSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-9(12)10(13-14(8)2)11(16)15-6-4-3-5-7-15/h3-7H2,1-2H3.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 241.72 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,5-dimethylpyrazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 19578022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).