N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide

C12H13N5O2 — CID 651903

IUPACN-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1-n1cnnn1
InChIInChI=1S/C12H13N5O2/c1-19-11-5-4-9(14-12(18)8-2-3-8)6-10(11)17-7-13-15-16-17/h4-8H,2-3H2,1H3,(H,14,18)
InChIKeyALEWBDGKZOHJEH-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.02
Rot. Bonds4

About N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide

N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide (PubChem CID 651903) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide
PubChem CID651903
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1-n1cnnn1
InChIInChI=1S/C12H13N5O2/c1-19-11-5-4-9(14-12(18)8-2-3-8)6-10(11)17-7-13-15-16-17/h4-8H,2-3H2,1H3,(H,14,18)
InChIKeyALEWBDGKZOHJEH-UHFFFAOYSA-N
XLogP1.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide (CID 651903) is N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide is COc1ccc(NC(=O)C2CC2)cc1-n1cnnn1.
What is the InChIKey of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is ALEWBDGKZOHJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-19-11-5-4-9(14-12(18)8-2-3-8)6-10(11)17-7-13-15-16-17/h4-8H,2-3H2,1H3,(H,14,18).
What are the key properties of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide?
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 259.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 651903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).