ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate

C10H16N2O3 — CID 134975487

IUPACethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(CC(C)O)n[nH]c1C
InChIInChI=1S/C10H16N2O3/c1-4-15-10(14)9-7(3)11-12-8(9)5-6(2)13/h6,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyJZBVNBGOOZVUAK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.82
Rot. Bonds4

About ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate

ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate (PubChem CID 134975487) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate
PubChem CID134975487
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(CC(C)O)n[nH]c1C
InChIInChI=1S/C10H16N2O3/c1-4-15-10(14)9-7(3)11-12-8(9)5-6(2)13/h6,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyJZBVNBGOOZVUAK-UHFFFAOYSA-N
XLogP0.82
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(5R,7S)-5,7-dimethyl-1H,4H,5H,7H-pyrano[3,4-c]pyrazole-3-carboxylic acid
CID 138040157
5-(1-methoxypropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 170168459
5-(oxan-3-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 175535129
ethyl 3-(1-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 12412771
ethyl 3-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 24975918
3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide
CID 130123940
ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate
CID 134910085
ethyl 3-ethyl-5-methyl-1H-pyrazole-4-carboxylate
CID 22308500
ethyl 5-methyl-3-propyl-1H-pyrazole-4-carboxylate
CID 22308501
ethyl 5-cyclopropyl-3-methyl-1H-pyrazole-4-carboxylate
CID 22308504
3-(2-methoxycyclohexa-2,4-dien-1-yl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 66695829
ethyl 3-amino-5-(2,3-dihydroxypropyl)-1H-pyrazole-4-carboxylate
CID 67799307

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate (CID 134975487) is ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(CC(C)O)n[nH]c1C.
What is the InChIKey of ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate?
The InChIKey is JZBVNBGOOZVUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-15-10(14)9-7(3)11-12-8(9)5-6(2)13/h6,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate?
ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 134975487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).