[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone

C14H23ClN4O — CID 114669093

IUPAC[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone
SMILESCN(C)CCn1ncc(Cl)c1C(=O)C1(C)CCNCC1
InChIInChI=1S/C14H23ClN4O/c1-14(4-6-16-7-5-14)13(20)12-11(15)10-17-19(12)9-8-18(2)3/h10,16H,4-9H2,1-3H3
InChIKeyONCVSPWAWBWFQK-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.67
Rot. Bonds5

About [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone (PubChem CID 114669093) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone
PubChem CID114669093
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone
SMILESCN(C)CCn1ncc(Cl)c1C(=O)C1(C)CCNCC1
InChIInChI=1S/C14H23ClN4O/c1-14(4-6-16-7-5-14)13(20)12-11(15)10-17-19(12)9-8-18(2)3/h10,16H,4-9H2,1-3H3
InChIKeyONCVSPWAWBWFQK-UHFFFAOYSA-N
XLogP1.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-aminocyclobutyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670583
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methylcyclopentyl)methanone
CID 115804119
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-piperidin-3-ylethanone
CID 114668929
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
CID 114639261
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropylethanone
CID 114641756
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-pyrimidin-5-ylmethanone
CID 102923235
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cycloheptylethanone
CID 115802561
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 114641570
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(methylamino)propan-1-one
CID 114668966
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-methoxypropan-1-one
CID 114639468
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-fluorophenyl)ethanone
CID 114639082

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone (CID 114669093) is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone is CN(C)CCn1ncc(Cl)c1C(=O)C1(C)CCNCC1.
What is the InChIKey of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone?
The InChIKey is ONCVSPWAWBWFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-14(4-6-16-7-5-14)13(20)12-11(15)10-17-19(12)9-8-18(2)3/h10,16H,4-9H2,1-3H3.
What are the key properties of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone?
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone has a molecular weight of 298.82 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 114669093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).