4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole

C10H15ClN2O — CID 115410517

IUPAC4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole
SMILESCCn1nc(C)c(Cl)c1CCC1CO1
InChIInChI=1S/C10H15ClN2O/c1-3-13-9(5-4-8-6-14-8)10(11)7(2)12-13/h8H,3-6H2,1-2H3
InChIKeyZPBNMONFSPSNJP-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.20
Rot. Bonds4

About 4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole

4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole (PubChem CID 115410517) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole
PubChem CID115410517
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole
SMILESCCn1nc(C)c(Cl)c1CCC1CO1
InChIInChI=1S/C10H15ClN2O/c1-3-13-9(5-4-8-6-14-8)10(11)7(2)12-13/h8H,3-6H2,1-2H3
InChIKeyZPBNMONFSPSNJP-UHFFFAOYSA-N
XLogP2.20
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543734
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469312
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468967
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546885
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83150607
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104998923
N-[[3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534723
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]thiolan-3-amine
CID 83196814
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986324
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081888
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79962616
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077104

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole?
The IUPAC name of 4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole (CID 115410517) is 4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole.
What is the SMILES notation for 4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole?
The canonical SMILES for 4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole is CCn1nc(C)c(Cl)c1CCC1CO1.
What is the InChIKey of 4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole?
The InChIKey is ZPBNMONFSPSNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-3-13-9(5-4-8-6-14-8)10(11)7(2)12-13/h8H,3-6H2,1-2H3.
What are the key properties of 4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole?
4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole has a molecular weight of 214.70 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole is sourced from PubChem (CID 115410517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).