propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate

C15H18N2O2 — CID 890111

IUPACpropan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate
SMILESCc1cc(C)n(-c2ccc(C(=O)OC(C)C)cc2)n1
InChIInChI=1S/C15H18N2O2/c1-10(2)19-15(18)13-5-7-14(8-6-13)17-12(4)9-11(3)16-17/h5-10H,1-4H3
InChIKeyDINYEWWUIROEMY-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.05
Rot. Bonds3

About propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate

propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate (PubChem CID 890111) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate
PubChem CID890111
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namepropan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate
SMILESCc1cc(C)n(-c2ccc(C(=O)OC(C)C)cc2)n1
InChIInChI=1S/C15H18N2O2/c1-10(2)19-15(18)13-5-7-14(8-6-13)17-12(4)9-11(3)16-17/h5-10H,1-4H3
InChIKeyDINYEWWUIROEMY-UHFFFAOYSA-N
XLogP3.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dimethyl-1-(4-ethoxycarbonylphenyl)pyrrole
CID 702059
4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 693206
ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate
CID 2741137
[2-(2-Fluoroanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4791006
Methylethyl 4-(3,5-dimethyl-4-nitropyrazolyl)benzoate
CID 6490035
4-[(2-Ethyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid isopropyl ester
CID 841888
2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate
CID 660944
methyl 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzenecarboxylate
CID 1485771
ethyl 4-acetyl-5-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate
CID 1237112
ethyl 4-({[(1,3,5-trimethyl-1H-pyrazol-4-yl)amino]carbonyl}amino)benzoate
CID 972049
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2116736
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2126247

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The IUPAC name of propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate (CID 890111) is propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate.
What is the SMILES notation for propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The canonical SMILES for propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate is Cc1cc(C)n(-c2ccc(C(=O)OC(C)C)cc2)n1.
What is the InChIKey of propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The InChIKey is DINYEWWUIROEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)19-15(18)13-5-7-14(8-6-13)17-12(4)9-11(3)16-17/h5-10H,1-4H3.
What are the key properties of propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate?
propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate has a molecular weight of 258.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(3,5-dimethylpyrazol-1-yl)benzoate is sourced from PubChem (CID 890111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).