[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone

C15H15ClN2O2 — CID 2745777

IUPAC[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone
SMILESCc1nn(C(=O)C2CC2)c(C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-9-14(20-13-7-5-12(16)6-8-13)10(2)18(17-9)15(19)11-3-4-11/h5-8,11H,3-4H2,1-2H3
InChIKeyWRBUGQZESUREMP-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.00
Rot. Bonds3

About [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone

[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone (PubChem CID 2745777) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone
PubChem CID2745777
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone
SMILESCc1nn(C(=O)C2CC2)c(C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-9-14(20-13-7-5-12(16)6-8-13)10(2)18(17-9)15(19)11-3-4-11/h5-8,11H,3-4H2,1-2H3
InChIKeyWRBUGQZESUREMP-UHFFFAOYSA-N
XLogP4.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl-
CID 83258
[4-(4-Chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone
CID 2745776
2-[4-(4-Chlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9900766
2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
CID 753828
1-(4-Chloro-3,5-dimethylpyrazolyl)-2-(4-fluorophenoxy)ethan-1-one
CID 726957
1-(3,5-Dimethylpyrazolyl)-2-(4-chlorophenoxy)ethan-1-one
CID 785893
2-(4-Chloro-3-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 969160
4-(2,4-dichlorophenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)butan-1-one
CID 1731627
3-[4-(4-Chlorophenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile
CID 2746214
1-[2-(2,4-dichlorophenoxy)propanoyl]-3,5-dimethyl-1H-pyrazole
CID 2898758
1-(3,5-Dimethylpyrazolyl)-2-(4-chlorophenoxy)propan-1-one
CID 3123145
1-[(2-chlorophenoxy)acetyl]-3,5-dimethyl-1H-pyrazole
CID 19177834

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone (CID 2745777) is [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone is Cc1nn(C(=O)C2CC2)c(C)c1Oc1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone?
The InChIKey is WRBUGQZESUREMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-14(20-13-7-5-12(16)6-8-13)10(2)18(17-9)15(19)11-3-4-11/h5-8,11H,3-4H2,1-2H3.
What are the key properties of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone?
[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone has a molecular weight of 290.75 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 2745777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).