ethyl 2-(4-methylpyrazol-1-yl)pentanoate

C11H18N2O2 — CID 83037654

IUPACethyl 2-(4-methylpyrazol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1cc(C)cn1
InChIInChI=1S/C11H18N2O2/c1-4-6-10(11(14)15-5-2)13-8-9(3)7-12-13/h7-8,10H,4-6H2,1-3H3
InChIKeyIYAGIGSBJIMRCX-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.10
Rot. Bonds5

About ethyl 2-(4-methylpyrazol-1-yl)pentanoate

ethyl 2-(4-methylpyrazol-1-yl)pentanoate (PubChem CID 83037654) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 2-(4-methylpyrazol-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylpyrazol-1-yl)pentanoate
PubChem CID83037654
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 2-(4-methylpyrazol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1cc(C)cn1
InChIInChI=1S/C11H18N2O2/c1-4-6-10(11(14)15-5-2)13-8-9(3)7-12-13/h7-8,10H,4-6H2,1-3H3
InChIKeyIYAGIGSBJIMRCX-UHFFFAOYSA-N
XLogP2.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methylpyrazol-1-yl)butanoate
CID 25248356
ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate
CID 7017156
ethyl 2-(4-phenylpyrazol-1-yl)pentanoate
CID 83037837
2-(4-methylpyrazol-1-yl)pentan-3-one
CID 64867990
[4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate
CID 155759206
ethyl 2-(1-propan-2-ylpyrazol-4-yl)oxypentanoate
CID 116799923
N-methyl-2-(4-methylpyrazol-1-yl)pentan-1-amine
CID 83046028
4-(4-methylpyrazol-1-yl)pentanoic acid
CID 62213453
(3S)-3-(4-methylpyrazol-1-yl)butanoic acid
CID 93345108
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanoate
CID 64705259
ethyl 4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate
CID 63039754
ethane;1-heptan-3-yl-4-methylpyrazole
CID 169217888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpyrazol-1-yl)pentanoate?
The IUPAC name of ethyl 2-(4-methylpyrazol-1-yl)pentanoate (CID 83037654) is ethyl 2-(4-methylpyrazol-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(4-methylpyrazol-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(4-methylpyrazol-1-yl)pentanoate is CCCC(C(=O)OCC)n1cc(C)cn1.
What is the InChIKey of ethyl 2-(4-methylpyrazol-1-yl)pentanoate?
The InChIKey is IYAGIGSBJIMRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-6-10(11(14)15-5-2)13-8-9(3)7-12-13/h7-8,10H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(4-methylpyrazol-1-yl)pentanoate?
ethyl 2-(4-methylpyrazol-1-yl)pentanoate has a molecular weight of 210.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpyrazol-1-yl)pentanoate is sourced from PubChem (CID 83037654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).