(2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate

C15H18N2O2 — CID 55541696

IUPAC(2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate
SMILESCc1ccc(C)c(COC(=O)c2cnn(C)c2C)c1
InChIInChI=1S/C15H18N2O2/c1-10-5-6-11(2)13(7-10)9-19-15(18)14-8-16-17(4)12(14)3/h5-8H,9H2,1-4H3
InChIKeyBLDVZHKOHZKVCM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.70
Rot. Bonds3

About (2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate

(2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate (PubChem CID 55541696) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate
PubChem CID55541696
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate
SMILESCc1ccc(C)c(COC(=O)c2cnn(C)c2C)c1
InChIInChI=1S/C15H18N2O2/c1-10-5-6-11(2)13(7-10)9-19-15(18)14-8-16-17(4)12(14)3/h5-8H,9H2,1-4H3
InChIKeyBLDVZHKOHZKVCM-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate
CID 16594706
(2,5-dimethylphenyl)methyl 2-nitrobenzoate
CID 2662210
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19456466
(2,5-dimethylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
CID 7994009
(2,5-dimethylphenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62815629
(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 7891565
[2-(4-ethylphenyl)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 55495555
(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 105096035
tert-butyl 1,5-dimethylpyrazole-4-carboxylate
CID 63897009
(1-butyltetrazol-5-yl)methyl 1,5-dimethylpyrazole-4-carboxylate
CID 55563378
[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 1,5-dimethylpyrazole-4-carboxylate
CID 75383862
(2,5-dimethylphenyl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562950

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of (2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate (CID 55541696) is (2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for (2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for (2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate is Cc1ccc(C)c(COC(=O)c2cnn(C)c2C)c1.
What is the InChIKey of (2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate?
The InChIKey is BLDVZHKOHZKVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-5-6-11(2)13(7-10)9-19-15(18)14-8-16-17(4)12(14)3/h5-8H,9H2,1-4H3.
What are the key properties of (2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate?
(2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 55541696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).