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

C13H21ClN4O2 — CID 114641317

IUPAC[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone
SMILESCN(C)CCn1ncc(Cl)c1C(=O)C1CN(C)CCO1
InChIInChI=1S/C13H21ClN4O2/c1-16(2)4-5-18-12(10(14)8-15-18)13(19)11-9-17(3)6-7-20-11/h8,11H,4-7,9H2,1-3H3
InChIKeyMRVDBLDARXCHAL-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.61
Rot. Bonds5

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

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone (PubChem CID 114641317) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone
PubChem CID114641317
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone
SMILESCN(C)CCn1ncc(Cl)c1C(=O)C1CN(C)CCO1
InChIInChI=1S/C13H21ClN4O2/c1-16(2)4-5-18-12(10(14)8-15-18)13(19)11-9-17(3)6-7-20-11/h8,11H,4-7,9H2,1-3H3
InChIKeyMRVDBLDARXCHAL-UHFFFAOYSA-N
XLogP0.61
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641477
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 114641570
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(oxolan-3-yl)methanone
CID 114640596
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641456
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-ethylcyclohexyl)methanone
CID 114640692
[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670290
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropylethanone
CID 114641756
(2-aminocyclohexyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669674
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(oxan-2-yl)ethanone
CID 114642354
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cycloheptylethanone
CID 115802561
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
CID 115815285
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
CID 114639261

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone?
The IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone (CID 114641317) is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone.
What is the SMILES notation for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone?
The canonical SMILES for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone is CN(C)CCn1ncc(Cl)c1C(=O)C1CN(C)CCO1.
What is the InChIKey of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone?
The InChIKey is MRVDBLDARXCHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-16(2)4-5-18-12(10(14)8-15-18)13(19)11-9-17(3)6-7-20-11/h8,11H,4-7,9H2,1-3H3.
What are the key properties of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone?
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone has a molecular weight of 300.79 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone is sourced from PubChem (CID 114641317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).