trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate

C10H14N2O2 — CID 89261279

IUPACtrans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1ccn(C)n1
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)8-6-7(8)9-4-5-12(2)11-9/h4-5,7-8H,3,6H2,1-2H3/t7-,8-/m0/s1
InChIKeySFKIXFZBMIDHMS-YUMQZZPRSA-N
MW194.23 g/mol
LogP1.09
Rot. Bonds3

About trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate

trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate (PubChem CID 89261279) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate
PubChem CID89261279
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nametrans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1ccn(C)n1
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)8-6-7(8)9-4-5-12(2)11-9/h4-5,7-8H,3,6H2,1-2H3/t7-,8-/m0/s1
InChIKeySFKIXFZBMIDHMS-YUMQZZPRSA-N
XLogP1.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.09
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
rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 124745805
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carbaldehyde
CID 132351030
Ethyl 4-(2-methylpyrazol-3-yl)butanoate
CID 102523556
(2S)-4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 124510723
2-(1-Methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 126855068
2-[[1-(Difluoromethyl)pyrazol-3-yl]methyl]-4-methoxy-4-oxobutanoic acid
CID 146596823
2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 91819591
6-Methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024323
trans-2-(1-Methyl-1h-pyrazol-3-yl)cyclopropanecarboxamide
CID 129841809
trans-N-methoxy-N-methyl-2-(1-methyl-1h-pyrazol-5-yl)cyclopropanecarboxamide
CID 129841860

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate (CID 89261279) is trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@@H]1c1ccn(C)n1.
What is the InChIKey of trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate?
The InChIKey is SFKIXFZBMIDHMS-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-14-10(13)8-6-7(8)9-4-5-12(2)11-9/h4-5,7-8H,3,6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 89261279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).