2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid

C19H19N3O3 — CID 69257439

IUPAC2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid
SMILESCc1cc(Oc2c(C3CC3)nn(CC(=O)O)c2C2CC2)ccc1C#N
InChIInChI=1S/C19H19N3O3/c1-11-8-15(7-6-14(11)9-20)25-19-17(12-2-3-12)21-22(10-16(23)24)18(19)13-4-5-13/h6-8,12-13H,2-5,10H2,1H3,(H,23,24)
InChIKeyYGTHXBLOIOIARB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.69
Rot. Bonds6

About 2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid

2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid (PubChem CID 69257439) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid
PubChem CID69257439
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid
SMILESCc1cc(Oc2c(C3CC3)nn(CC(=O)O)c2C2CC2)ccc1C#N
InChIInChI=1S/C19H19N3O3/c1-11-8-15(7-6-14(11)9-20)25-19-17(12-2-3-12)21-22(10-16(23)24)18(19)13-4-5-13/h6-8,12-13H,2-5,10H2,1H3,(H,23,24)
InChIKeyYGTHXBLOIOIARB-UHFFFAOYSA-N
XLogP3.69
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 69258943
2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide
CID 68913768
ethyl 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 71020571
ethyl 2-[4-(4-cyanophenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 90995777
2-[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid
CID 81276255
ethyl 4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-1-methylpyrazole-5-carboxylate
CID 69174067
methyl 4-(3-chloro-4-cyanophenoxy)-3-cyclopropyl-1-methylsulfonylpyrazole-5-carboxylate
CID 159199467
4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile
CID 69173093
(4-cyano-3-methylphenyl) 4-(4-methylcyclohexyl)benzoate
CID 145215491
4-(2,5-dimethylpyrazol-3-yl)oxy-2-methylbenzonitrile
CID 81346145
4-[3-cyclopropyl-1-(1,1-dioxothietan-3-yl)-5-(hydroxymethyl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile
CID 69218301
2-methyl-4-pyrimidin-2-yloxybenzonitrile
CID 70098326

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid (CID 69257439) is 2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid is Cc1cc(Oc2c(C3CC3)nn(CC(=O)O)c2C2CC2)ccc1C#N.
What is the InChIKey of 2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid?
The InChIKey is YGTHXBLOIOIARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-8-15(7-6-14(11)9-20)25-19-17(12-2-3-12)21-22(10-16(23)24)18(19)13-4-5-13/h6-8,12-13H,2-5,10H2,1H3,(H,23,24).
What are the key properties of 2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid?
2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid has a molecular weight of 337.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 69257439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).