4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole

C17H23ClN2O — CID 80999468

IUPAC4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
SMILESCCn1nc(C)c(Cl)c1COc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H23ClN2O/c1-6-20-15(17(18)13(5)19-20)10-21-16-9-14(11(2)3)8-7-12(16)4/h7-9,11H,6,10H2,1-5H3
InChIKeyXUGQZFSRSLRIEP-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.88
Rot. Bonds5

About 4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole

4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole (PubChem CID 80999468) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
PubChem CID80999468
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
SMILESCCn1nc(C)c(Cl)c1COc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H23ClN2O/c1-6-20-15(17(18)13(5)19-20)10-21-16-9-14(11(2)3)8-7-12(16)4/h7-9,11H,6,10H2,1-5H3
InChIKeyXUGQZFSRSLRIEP-UHFFFAOYSA-N
XLogP4.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80998222
(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 79025747
(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025743
4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole
CID 81005789
(1S)-1-[4-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102949064
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
5-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(hydroxymethyl)pyran-4-one
CID 79869025
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-iodobenzoic acid
CID 82991140
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
2-chloro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80607054
1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952218
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
The IUPAC name of 4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole (CID 80999468) is 4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole.
What is the SMILES notation for 4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
The canonical SMILES for 4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole is CCn1nc(C)c(Cl)c1COc1cc(C(C)C)ccc1C.
What is the InChIKey of 4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
The InChIKey is XUGQZFSRSLRIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-6-20-15(17(18)13(5)19-20)10-21-16-9-14(11(2)3)8-7-12(16)4/h7-9,11H,6,10H2,1-5H3.
What are the key properties of 4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole has a molecular weight of 306.84 g/mol, XLogP of 4.88, 5 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-methyl-5-propan-2-ylphenoxy)methyl]pyrazole is sourced from PubChem (CID 80999468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).