methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate

C10H16N2O2 — CID 121212808

IUPACmethyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate
SMILESCCc1[nH]nc(C(C)C)c1C(=O)OC
InChIInChI=1S/C10H16N2O2/c1-5-7-8(10(13)14-4)9(6(2)3)12-11-7/h6H,5H2,1-4H3,(H,11,12)
InChIKeyZMMRHVNKHXRBPT-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.88
Rot. Bonds3

About methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate

methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate (PubChem CID 121212808) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate
PubChem CID121212808
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate
SMILESCCc1[nH]nc(C(C)C)c1C(=O)OC
InChIInChI=1S/C10H16N2O2/c1-5-7-8(10(13)14-4)9(6(2)3)12-11-7/h6H,5H2,1-4H3,(H,11,12)
InChIKeyZMMRHVNKHXRBPT-UHFFFAOYSA-N
XLogP1.88
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(2-methylpropyl)-3-propan-2-yl-1H-pyrazole-4-carboxylate
CID 121212906
methyl 5-ethyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 121212204
methyl 5-ethyl-3-[[(2S)-2-phenylpropyl]sulfamoyl]-1H-pyrazole-4-carboxylate
CID 92888514
ethyl 3-amino-5-ethyl-1H-pyrazole-4-carboxylate
CID 15186424
ethyl 5-[5-(4-bromophenyl)pentyl]-3-propan-2-yl-1H-pyrazole-4-carboxylate
CID 67754268
methyl 5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxylate
CID 84682330
methyl 4-chloro-5-propyl-1H-pyrazole-3-carboxylate
CID 62080110
methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
CID 102808371
1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone
CID 10749582
methyl 3-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]propanoate
CID 121213111
methyl 4-chloro-5-(chloromethyl)-1H-pyrazole-3-carboxylate
CID 82395221
methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate (CID 121212808) is methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate is CCc1[nH]nc(C(C)C)c1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate?
The InChIKey is ZMMRHVNKHXRBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-7-8(10(13)14-4)9(6(2)3)12-11-7/h6H,5H2,1-4H3,(H,11,12).
What are the key properties of methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate?
methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 121212808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).