(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate

C11H14N4O3 — CID 55563304

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2nnc(C)o2)n[nH]1
InChIInChI=1S/C11H14N4O3/c1-3-4-8-5-9(14-13-8)11(16)17-6-10-15-12-7(2)18-10/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyJEALKNPEZMEOAP-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.41
Rot. Bonds5

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate (PubChem CID 55563304) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
PubChem CID55563304
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2nnc(C)o2)n[nH]1
InChIInChI=1S/C11H14N4O3/c1-3-4-8-5-9(14-13-8)11(16)17-6-10-15-12-7(2)18-10/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyJEALKNPEZMEOAP-UHFFFAOYSA-N
XLogP1.41
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562184
ethyl 5-(3-bromopropyl)-1H-pyrazole-3-carboxylate
CID 54326047
ethyl 5-pentadecyl-1H-pyrazole-3-carboxylate
CID 70581029
(1-butyltetrazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562305
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562307
2-(3-methylbutoxy)ethyl 5-propyl-1H-pyrazole-3-carboxylate
CID 60554709
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55601702
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55546370
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 30657196
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55531590
quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562186
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 24671310

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate (CID 55563304) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate is CCCc1cc(C(=O)OCc2nnc(C)o2)n[nH]1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
The InChIKey is JEALKNPEZMEOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-4-8-5-9(14-13-8)11(16)17-6-10-15-12-7(2)18-10/h5H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate has a molecular weight of 250.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 55563304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).