methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate

C7H10N2O2 — CID 2753080

IUPACmethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C7H10N2O2/c1-4-6(7(10)11-3)5(2)9-8-4/h1-3H3,(H,8,9)
InChIKeyHYULAOVKUFWMCB-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.81
Rot. Bonds1

About methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate

methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate (PubChem CID 2753080) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
PubChem CID2753080
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C7H10N2O2/c1-4-6(7(10)11-3)5(2)9-8-4/h1-3H3,(H,8,9)
InChIKeyHYULAOVKUFWMCB-UHFFFAOYSA-N
XLogP0.81
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-methyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate
CID 151631715
4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate
CID 10657654
methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate
CID 60934285
methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate
CID 61260356
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
3,5-dimethyl-N-(2-methylcyclopropyl)-1H-pyrazole-4-carboxamide
CID 62408257
2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 82416902
methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate
CID 2744662
N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582482
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate (CID 2753080) is methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate is COC(=O)c1c(C)n[nH]c1C.
What is the InChIKey of methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate?
The InChIKey is HYULAOVKUFWMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-6(7(10)11-3)5(2)9-8-4/h1-3H3,(H,8,9).
What are the key properties of methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate?
methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 2753080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).