ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate

C10H14N2O2 — CID 171800759

IUPACethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc([C@@H]2C[C@H]2C)[nH]n1
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)9-5-8(11-12-9)7-4-6(7)2/h5-7H,3-4H2,1-2H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyIFUPIDDSJGMWPB-RNFRBKRXSA-N
MW194.23 g/mol
LogP1.71
Rot. Bonds3

About ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate

ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate (PubChem CID 171800759) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate
PubChem CID171800759
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc([C@@H]2C[C@H]2C)[nH]n1
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)9-5-8(11-12-9)7-4-6(7)2/h5-7H,3-4H2,1-2H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyIFUPIDDSJGMWPB-RNFRBKRXSA-N
XLogP1.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate (CID 171800759) is ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc([C@@H]2C[C@H]2C)[nH]n1.
What is the InChIKey of ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate?
The InChIKey is IFUPIDDSJGMWPB-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-14-10(13)9-5-8(11-12-9)7-4-6(7)2/h5-7H,3-4H2,1-2H3,(H,11,12)/t6-,7-/m1/s1.
What are the key properties of ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate?
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 171800759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).