1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide

C17H15N5O — CID 26728537

IUPAC1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H15N5O/c23-16(17(10-11-17)13-4-2-1-3-5-13)19-14-6-8-15(9-7-14)22-12-18-20-21-22/h1-9,12H,10-11H2,(H,19,23)
InChIKeyHPWMHYABPOWZGN-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.33
Rot. Bonds4

About 1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide

1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 26728537) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID26728537
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H15N5O/c23-16(17(10-11-17)13-4-2-1-3-5-13)19-14-6-8-15(9-7-14)22-12-18-20-21-22/h1-9,12H,10-11H2,(H,19,23)
InChIKeyHPWMHYABPOWZGN-UHFFFAOYSA-N
XLogP2.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide (CID 26728537) is 1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is HPWMHYABPOWZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16(17(10-11-17)13-4-2-1-3-5-13)19-14-6-8-15(9-7-14)22-12-18-20-21-22/h1-9,12H,10-11H2,(H,19,23).
What are the key properties of 1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 26728537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).