(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate

C14H16N2O2 — CID 155801750

IUPAC(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
SMILESCc1cc(OC(=O)C(C)C)n(-c2ccccc2)n1
InChIInChI=1S/C14H16N2O2/c1-10(2)14(17)18-13-9-11(3)15-16(13)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyQNUSKJGWGRXDDW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.74
Rot. Bonds3

About (5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate

(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate (PubChem CID 155801750) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
PubChem CID155801750
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
SMILESCc1cc(OC(=O)C(C)C)n(-c2ccccc2)n1
InChIInChI=1S/C14H16N2O2/c1-10(2)14(17)18-13-9-11(3)15-16(13)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyQNUSKJGWGRXDDW-UHFFFAOYSA-N
XLogP2.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate
CID 155801902
(5-methyl-2-phenylpyrazol-3-yl) heptanoate
CID 155801802
2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide
CID 150598123
3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole
CID 59067540
[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate
CID 7465311
1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate
CID 166035459
(5-methyl-2-phenylpyrazol-3-yl) 4-(2-amino-3-methylbutanoyl)-2-methylpiperazine-1-carboxylate
CID 166664825
2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide
CID 151612404
(5-methyl-2-phenylpyrazol-3-yl) 4-[(2S)-2,6-diaminohexanoyl]piperazine-1-carboxylate;dihydrochloride
CID 146448775
(5-methyl-2-phenylpyrazol-3-yl) 4-[(2S)-2-amino-3-methylbutanoyl]-2-ethylpiperazine-1-carboxylate
CID 146448868
[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate
CID 121015739

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate?
The IUPAC name of (5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate (CID 155801750) is (5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate.
What is the SMILES notation for (5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate?
The canonical SMILES for (5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate is Cc1cc(OC(=O)C(C)C)n(-c2ccccc2)n1.
What is the InChIKey of (5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate?
The InChIKey is QNUSKJGWGRXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)14(17)18-13-9-11(3)15-16(13)12-7-5-4-6-8-12/h4-10H,1-3H3.
What are the key properties of (5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate?
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate is sourced from PubChem (CID 155801750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).