ethyl 4-(2-methylpyrazol-3-yl)butanoate

C10H16N2O2 — CID 102523556

IUPACethyl 4-(2-methylpyrazol-3-yl)butanoate
SMILESCCOC(=O)CCCc1ccnn1C
InChIInChI=1S/C10H16N2O2/c1-3-14-10(13)6-4-5-9-7-8-11-12(9)2/h7-8H,3-6H2,1-2H3
InChIKeyLHHOXLQMQJYXAA-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.31
Rot. Bonds5

About ethyl 4-(2-methylpyrazol-3-yl)butanoate

ethyl 4-(2-methylpyrazol-3-yl)butanoate (PubChem CID 102523556) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 4-(2-methylpyrazol-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-methylpyrazol-3-yl)butanoate
PubChem CID102523556
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 4-(2-methylpyrazol-3-yl)butanoate
SMILESCCOC(=O)CCCc1ccnn1C
InChIInChI=1S/C10H16N2O2/c1-3-14-10(13)6-4-5-9-7-8-11-12(9)2/h7-8H,3-6H2,1-2H3
InChIKeyLHHOXLQMQJYXAA-UHFFFAOYSA-N
XLogP1.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 124602659
2-(1-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 129321797
methyl 2-(1-methyl-1H-pyrazol-3-yl)acetate
CID 13269736
3-(1-methyl-1H-pyrazol-5-yl)propanoic acid
CID 19622632
rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 124745805
ethyl 2,2-difluoro-2-(1-methyl-1H-pyrazol-5-yl)acetate
CID 63963308
2-(1-Methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 126855068
Ethyl 4-(1-phenylpyrazol-3-yl)butanoate
CID 102415838
Methyl 9-(1-ethyl-3-hexyl-1h-pyrazol-5-yl)nonanoate
CID 176515757
Ethyl 2-fluoro-2-(2-methylpyrazol-3-yl)acetate
CID 79366434
Ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate
CID 79366518
Ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate
CID 79366603

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylpyrazol-3-yl)butanoate?
The IUPAC name of ethyl 4-(2-methylpyrazol-3-yl)butanoate (CID 102523556) is ethyl 4-(2-methylpyrazol-3-yl)butanoate.
What is the SMILES notation for ethyl 4-(2-methylpyrazol-3-yl)butanoate?
The canonical SMILES for ethyl 4-(2-methylpyrazol-3-yl)butanoate is CCOC(=O)CCCc1ccnn1C.
What is the InChIKey of ethyl 4-(2-methylpyrazol-3-yl)butanoate?
The InChIKey is LHHOXLQMQJYXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-14-10(13)6-4-5-9-7-8-11-12(9)2/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(2-methylpyrazol-3-yl)butanoate?
ethyl 4-(2-methylpyrazol-3-yl)butanoate has a molecular weight of 196.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylpyrazol-3-yl)butanoate is sourced from PubChem (CID 102523556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).