1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate

C13H14N2O2 — CID 167800300

IUPAC1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C13H14N2O2/c1-13(4-5-13)12(16)17-8-9-2-3-11-10(6-9)7-14-15-11/h2-3,6-7H,4-5,8H2,1H3,(H,14,15)
InChIKeyMXQHSITUANNWEQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.41
Rot. Bonds3

About 1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate

1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate (PubChem CID 167800300) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate
PubChem CID167800300
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C13H14N2O2/c1-13(4-5-13)12(16)17-8-9-2-3-11-10(6-9)7-14-15-11/h2-3,6-7H,4-5,8H2,1H3,(H,14,15)
InChIKeyMXQHSITUANNWEQ-UHFFFAOYSA-N
XLogP2.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate?
The IUPAC name of 1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate (CID 167800300) is 1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for 1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate?
The canonical SMILES for 1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate is CC1(C(=O)OCc2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate?
The InChIKey is MXQHSITUANNWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-13(4-5-13)12(16)17-8-9-2-3-11-10(6-9)7-14-15-11/h2-3,6-7H,4-5,8H2,1H3,(H,14,15).
What are the key properties of 1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate?
1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 167800300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).