tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate

C12H18N2O3 — CID 134393511

IUPACtert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate
SMILESC[C@@H]1C[C@H]1Oc1ccn(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O3/c1-8-7-9(8)16-10-5-6-14(13-10)11(15)17-12(2,3)4/h5-6,8-9H,7H2,1-4H3/t8-,9-/m1/s1
InChIKeyIKKHRKMCMIOEFC-RKDXNWHRSA-N
MW238.29 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate

tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate (PubChem CID 134393511) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate
PubChem CID134393511
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate
SMILESC[C@@H]1C[C@H]1Oc1ccn(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O3/c1-8-7-9(8)16-10-5-6-14(13-10)11(15)17-12(2,3)4/h5-6,8-9H,7H2,1-4H3/t8-,9-/m1/s1
InChIKeyIKKHRKMCMIOEFC-RKDXNWHRSA-N
XLogP2.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate
CID 134398545
tert-butyl 3-[4-(dimethylamino)cyclohexyl]oxypyrazole-1-carboxylate
CID 126655423
tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane
CID 142372510
tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate
CID 134393462
tert-butyl 3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazole-1-carboxylate
CID 134587384
CID 153335568
CID 153335568
tert-butyl 3-(aminomethyl)pyrazole-1-carboxylate
CID 53407742
tert-butyl 3-ethynylpyrazole-1-carboxylate
CID 150227758
tert-butyl 2-chloro-6-[3-[(1R,2R)-2-methylcyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2-chloro-6-[3-[(1S,2S)-2-methylcyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylate;2-chloro-6-[3-[(1R,2R)-2-methylcyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1S,2S)-2-methylcyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 157497718
tert-butyl 3-[(4-iodophenoxy)methyl]pyrazole-1-carboxylate
CID 171845899
tert-butyl 3-[(4-cyano-2-fluorophenyl)methoxy]pyrazole-1-carboxylate
CID 162737357
tert-butyl 3-(2,5-dichloropyrimidin-4-yl)pyrazole-1-carboxylate
CID 170699324

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate (CID 134393511) is tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate is C[C@@H]1C[C@H]1Oc1ccn(C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate?
The InChIKey is IKKHRKMCMIOEFC-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-7-9(8)16-10-5-6-14(13-10)11(15)17-12(2,3)4/h5-6,8-9H,7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate?
tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate is sourced from PubChem (CID 134393511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).