methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate

C9H12N2O2 — CID 125042644

IUPACmethyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(C)[nH]n2)CC1
InChIInChI=1S/C9H12N2O2/c1-6-5-7(11-10-6)9(3-4-9)8(12)13-2/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyQBRYCMLMEPSGPR-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.92
Rot. Bonds2

About methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate

methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate (PubChem CID 125042644) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate
PubChem CID125042644
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(C)[nH]n2)CC1
InChIInChI=1S/C9H12N2O2/c1-6-5-7(11-10-6)9(3-4-9)8(12)13-2/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyQBRYCMLMEPSGPR-UHFFFAOYSA-N
XLogP0.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate (CID 125042644) is methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2cc(C)[nH]n2)CC1.
What is the InChIKey of methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate?
The InChIKey is QBRYCMLMEPSGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-5-7(11-10-6)9(3-4-9)8(12)13-2/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate?
methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 125042644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).