(2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate

C14H16N2O2 — CID 13292167

IUPAC(2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)Oc2cc(C)nn2C)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-9-5-6-12(10(2)7-9)14(17)18-13-8-11(3)15-16(13)4/h5-8H,1-4H3
InChIKeyJJOBVXGKZIQUJZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.56
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate

(2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate (PubChem CID 13292167) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate
PubChem CID13292167
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)Oc2cc(C)nn2C)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-9-5-6-12(10(2)7-9)14(17)18-13-8-11(3)15-16(13)4/h5-8H,1-4H3
InChIKeyJJOBVXGKZIQUJZ-UHFFFAOYSA-N
XLogP2.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fenpyroximate
CID 9576412
Benzoic acid, 4-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methyleneaminooxymethyl-, 1,1-dimethylethyl ester
CID 107760
Fenpyroximate, (Z)-
CID 6002001
(Z)-Fenpyroximate (free acid)
CID 101126861
3-Methyl-1-phenyl-1H-pyrazol-5-yl benzoate
CID 569570
[2-(2-Cyanoethyl)-5-methylpyrazol-3-yl] benzoate
CID 2366780
1-benzyl-3-methyl-1H-pyrazol-5-yl 2,6-difluorobenzoate
CID 44537803
1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl 2,6-difluoro-3-methylbenzoate
CID 44537804
1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl benzoate
CID 44537806
1-benzyl-3-methyl-1H-pyrazol-5-yl 2,6-difluoro-3-methylbenzoate
CID 45485606
(5-Methyl-2-phenylpyrazol-3-yl) 4-(3-nitrooxypropyl)benzoate
CID 71462370
[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl] 2-chlorobenzoate
CID 2807373

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate?
The IUPAC name of (2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate (CID 13292167) is (2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate is Cc1ccc(C(=O)Oc2cc(C)nn2C)c(C)c1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate?
The InChIKey is JJOBVXGKZIQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-5-6-12(10(2)7-9)14(17)18-13-8-11(3)15-16(13)4/h5-8H,1-4H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate?
(2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate has a molecular weight of 244.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl) 2,4-dimethylbenzoate is sourced from PubChem (CID 13292167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).