methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate

C10H16N2O3 — CID 163722890

IUPACmethyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1CCCO
InChIInChI=1S/C10H16N2O3/c1-7-8(5-4-6-13)9(10(14)15-3)11-12(7)2/h13H,4-6H2,1-3H3
InChIKeyZAQZHDYYRHXCOV-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.44
Rot. Bonds4

About methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate

methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate (PubChem CID 163722890) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate
PubChem CID163722890
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1CCCO
InChIInChI=1S/C10H16N2O3/c1-7-8(5-4-6-13)9(10(14)15-3)11-12(7)2/h13H,4-6H2,1-3H3
InChIKeyZAQZHDYYRHXCOV-UHFFFAOYSA-N
XLogP0.44
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-isopropyl-1-methyl-1H-pyrazole-3-carboxylate
CID 37818508
1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 82601243
ethyl 1-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 50955210
2-methyl-2H,4H,6H,7H-pyrano(4,3-c)pyrazole-3-carboxylic acid
CID 83680022
ethyl 4-hydroxy-1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 131606701
Ethyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate
CID 9855653
Ethyl 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carboxylate
CID 57574539
ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxylate
CID 58542524
ethyl 3-(2-fluoropropan-2-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxylate
CID 58542538
2-(Methoxymethyl)-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 58542560
ethyl 3-(2-hydroxypropan-2-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxylate
CID 58542588
5-tert-Butyl-4-fluoro-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
CID 67413334

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate (CID 163722890) is methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1CCCO.
What is the InChIKey of methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate?
The InChIKey is ZAQZHDYYRHXCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-8(5-4-6-13)9(10(14)15-3)11-12(7)2/h13H,4-6H2,1-3H3.
What are the key properties of methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate?
methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 163722890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).