2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone

C15H24ClN3O2 — CID 116587915

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C15H24ClN3O2/c1-4-6-17-12-9-21-8-10(12)14(20)7-13-15(16)11(5-2)18-19(13)3/h10,12,17H,4-9H2,1-3H3
InChIKeyDMAJMYQDHUZCHK-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.76
Rot. Bonds7

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone (PubChem CID 116587915) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
PubChem CID116587915
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C15H24ClN3O2/c1-4-6-17-12-9-21-8-10(12)14(20)7-13-15(16)11(5-2)18-19(13)3/h10,12,17H,4-9H2,1-3H3
InChIKeyDMAJMYQDHUZCHK-UHFFFAOYSA-N
XLogP1.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588170
1-(2-aminocyclopentyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116580338
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469545
1-(2-aminocycloheptyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116595346
2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587823
2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587859
1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116583884
1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116587763
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone
CID 103344891
1-[4-(propylamino)oxolan-3-yl]undecan-1-one
CID 116587751
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone (CID 116587915) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone is CCCNC1COCC1C(=O)Cc1c(Cl)c(CC)nn1C.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The InChIKey is DMAJMYQDHUZCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-4-6-17-12-9-21-8-10(12)14(20)7-13-15(16)11(5-2)18-19(13)3/h10,12,17H,4-9H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone has a molecular weight of 313.83 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116587915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).