(4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone

C12H18ClN3O — CID 4772890

IUPAC(4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C12H18ClN3O/c1-3-16-8-10(13)11(14-16)12(17)15-6-4-9(2)5-7-15/h8-9H,3-7H2,1-2H3
InChIKeyWTMBHIKKSYPGCH-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.43
Rot. Bonds2

About (4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone

(4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 4772890) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID4772890
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C12H18ClN3O/c1-3-16-8-10(13)11(14-16)12(17)15-6-4-9(2)5-7-15/h8-9H,3-7H2,1-2H3
InChIKeyWTMBHIKKSYPGCH-UHFFFAOYSA-N
XLogP2.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
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
4-chloro-N,N,2-triethylpyrazole-3-carboxamide
CID 19575784

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone (CID 4772890) is (4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone is CCn1cc(Cl)c(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WTMBHIKKSYPGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-16-8-10(13)11(14-16)12(17)15-6-4-9(2)5-7-15/h8-9H,3-7H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
(4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 255.75 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4772890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).