N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide

C13H15N5O — CID 60724572

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C13H15N5O/c1-2-12(19)14-10-5-3-9(4-6-10)13-15-16-17-18(13)11-7-8-11/h3-6,11H,2,7-8H2,1H3,(H,14,19)
InChIKeyYRWZLHSRPJUQSP-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.02
Rot. Bonds4

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide (PubChem CID 60724572) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
PubChem CID60724572
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C13H15N5O/c1-2-12(19)14-10-5-3-9(4-6-10)13-15-16-17-18(13)11-7-8-11/h3-6,11H,2,7-8H2,1H3,(H,14,19)
InChIKeyYRWZLHSRPJUQSP-UHFFFAOYSA-N
XLogP2.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 55536713
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253
4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
CID 63090376
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55811341
(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 39974905
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide
CID 55565410
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37228950
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
CID 46548478
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 31404594
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide (CID 60724572) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide?
The InChIKey is YRWZLHSRPJUQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-12(19)14-10-5-3-9(4-6-10)13-15-16-17-18(13)11-7-8-11/h3-6,11H,2,7-8H2,1H3,(H,14,19).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide has a molecular weight of 257.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 60724572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).