2-hydroxyethyl 3-pyrazol-1-ylpropanoate

C8H12N2O3 — CID 54088035

IUPAC2-hydroxyethyl 3-pyrazol-1-ylpropanoate
SMILESO=C(CCn1cccn1)OCCO
InChIInChI=1S/C8H12N2O3/c11-6-7-13-8(12)2-5-10-4-1-3-9-10/h1,3-4,11H,2,5-7H2
InChIKeyMRWFXYSQSDPKSS-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.19
Rot. Bonds5

About 2-hydroxyethyl 3-pyrazol-1-ylpropanoate

2-hydroxyethyl 3-pyrazol-1-ylpropanoate (PubChem CID 54088035) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-hydroxyethyl 3-pyrazol-1-ylpropanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-pyrazol-1-ylpropanoate
PubChem CID54088035
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-hydroxyethyl 3-pyrazol-1-ylpropanoate
SMILESO=C(CCn1cccn1)OCCO
InChIInChI=1S/C8H12N2O3/c11-6-7-13-8(12)2-5-10-4-1-3-9-10/h1,3-4,11H,2,5-7H2
InChIKeyMRWFXYSQSDPKSS-UHFFFAOYSA-N
XLogP-0.19
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate
CID 61495027
4-pyrazol-1-ylbutan-1-ol
CID 43509832
2-hydroxyethyl 3-aminopropanoate
CID 22321350
3,4,4-trifluorobut-3-enyl 2-pyrazol-1-ylacetate
CID 163220388
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 43501387
amino 2-pyrazol-1-ylacetate
CID 175809673
ethyl 4-oxo-5-pyrazol-1-ylpentanoate
CID 103484644
2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate
CID 61494607
N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide
CID 115870093
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
N-(2-aminocyclopropyl)-3-pyrazol-1-ylpropanamide
CID 43593652
1-O-methyl 4-O-(2-pyrazol-1-ylethyl) but-2-enedioate
CID 123418072

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-pyrazol-1-ylpropanoate?
The IUPAC name of 2-hydroxyethyl 3-pyrazol-1-ylpropanoate (CID 54088035) is 2-hydroxyethyl 3-pyrazol-1-ylpropanoate.
What is the SMILES notation for 2-hydroxyethyl 3-pyrazol-1-ylpropanoate?
The canonical SMILES for 2-hydroxyethyl 3-pyrazol-1-ylpropanoate is O=C(CCn1cccn1)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-pyrazol-1-ylpropanoate?
The InChIKey is MRWFXYSQSDPKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-6-7-13-8(12)2-5-10-4-1-3-9-10/h1,3-4,11H,2,5-7H2.
What are the key properties of 2-hydroxyethyl 3-pyrazol-1-ylpropanoate?
2-hydroxyethyl 3-pyrazol-1-ylpropanoate has a molecular weight of 184.19 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-pyrazol-1-ylpropanoate is sourced from PubChem (CID 54088035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).