(4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone

C12H18ClN3O — CID 903342

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](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/t8-,9+
InChIKeyBENMGYISJKHNEC-DTORHVGOSA-N
MW255.75 g/mol
LogP2.19
Rot. Bonds1

About (4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone

(4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 903342) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID903342
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](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/t8-,9+
InChIKeyBENMGYISJKHNEC-DTORHVGOSA-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

Analyze (4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone with MolForge

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Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
(4-Chloro-2-methylpyrazol-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6464556
N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide
CID 3694136
N-(1-adamantyl)-4-chloro-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 7824863
ethyl 4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinecarboxylate
CID 842664
4-Adamantanylpiperazinyl 4-chloro-1-methylpyrazol-5-yl ketone
CID 4576838
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
4-Chloro-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 892375
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone (CID 903342) is (4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone is C[C@@H]1C[C@H](C)CN(C(=O)c2c(Cl)cnn2C)C1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is BENMGYISJKHNEC-DTORHVGOSA-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/t8-,9+.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[(3S,5R)-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)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 903342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).