(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone

C16H18N2O2 — CID 105134334

IUPAC(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)c2ccc(OC3CC3)cc2)n(C)n1
InChIInChI=1S/C16H18N2O2/c1-3-12-10-15(18(2)17-12)16(19)11-4-6-13(7-5-11)20-14-8-9-14/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyLEBLBAQGOMNHAM-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.75
Rot. Bonds5

About (4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone

(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone (PubChem CID 105134334) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
PubChem CID105134334
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)c2ccc(OC3CC3)cc2)n(C)n1
InChIInChI=1S/C16H18N2O2/c1-3-12-10-15(18(2)17-12)16(19)11-4-6-13(7-5-11)20-14-8-9-14/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyLEBLBAQGOMNHAM-UHFFFAOYSA-N
XLogP2.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone
CID 105098784
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291305
(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105134407
[(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105340954
(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone
CID 105096952
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
CID 46957568
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
(3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 105104856
(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105100921
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone (CID 105134334) is (4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone is CCc1cc(C(=O)c2ccc(OC3CC3)cc2)n(C)n1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The InChIKey is LEBLBAQGOMNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-12-10-15(18(2)17-12)16(19)11-4-6-13(7-5-11)20-14-8-9-14/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of (4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 105134334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).