(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C12H18ClN3O — CID 3405293

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2c(Cl)cnn2C)C1
InChIInChI=1S/C12H18ClN3O/c1-8-4-9(2)7-16(6-8)12(17)11-10(13)5-14-15(11)3/h5,8-9H,4,6-7H2,1-3H3
InChIKeyBENMGYISJKHNEC-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.19
Rot. Bonds1

About (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 3405293) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID3405293
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2c(Cl)cnn2C)C1
InChIInChI=1S/C12H18ClN3O/c1-8-4-9(2)7-16(6-8)12(17)11-10(13)5-14-15(11)3/h5,8-9H,4,6-7H2,1-3H3
InChIKeyBENMGYISJKHNEC-UHFFFAOYSA-N
XLogP2.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 3405293) is (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2c(Cl)cnn2C)C1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is BENMGYISJKHNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-4-9(2)7-16(6-8)12(17)11-10(13)5-14-15(11)3/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 255.75 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 3405293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).