ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate

C11H18N2O2 — CID 69318713

IUPACethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate
SMILESCCOC(=O)CCc1cn[nH]c1C(C)C
InChIInChI=1S/C11H18N2O2/c1-4-15-10(14)6-5-9-7-12-13-11(9)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyFXKVMKYZQVTFHE-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.03
Rot. Bonds5

About ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate

ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate (PubChem CID 69318713) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate
PubChem CID69318713
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate
SMILESCCOC(=O)CCc1cn[nH]c1C(C)C
InChIInChI=1S/C11H18N2O2/c1-4-15-10(14)6-5-9-7-12-13-11(9)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyFXKVMKYZQVTFHE-UHFFFAOYSA-N
XLogP2.03
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 1934835
ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 3410253
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 55279075
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71607210
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
2-(4-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)acetic acid
CID 96622066
methyl 4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 117274044
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid hydrochloride
CID 155822215
Ethyl (5s)-4,5,6,7-Tetrahydro-2h-Indazole-5-Carboxylate
CID 86330706
ethyl 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoate
CID 67779523
Ethyl (5r)-4,5,6,7-Tetrahydro-1h-Indazole-5-Carboxylate
CID 86330705

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate?
The IUPAC name of ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate (CID 69318713) is ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate is CCOC(=O)CCc1cn[nH]c1C(C)C.
What is the InChIKey of ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate?
The InChIKey is FXKVMKYZQVTFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-15-10(14)6-5-9-7-12-13-11(9)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate?
ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate has a molecular weight of 210.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-propan-2-yl-1H-pyrazol-4-yl)propanoate is sourced from PubChem (CID 69318713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).