1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one

C18H18ClN5O2 — CID 41402586

IUPAC1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one
SMILESCc1cc(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)c(C)n1C1CC1
InChIInChI=1S/C18H18ClN5O2/c1-11-9-14(12(2)23(11)13-7-8-13)17(25)10-22-18(26)24(21-20-22)16-6-4-3-5-15(16)19/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyIHSFOUXLXZYMNE-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.72
Rot. Bonds5

About 1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one

1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one (PubChem CID 41402586) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one
PubChem CID41402586
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one
SMILESCc1cc(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)c(C)n1C1CC1
InChIInChI=1S/C18H18ClN5O2/c1-11-9-14(12(2)23(11)13-7-8-13)17(25)10-22-18(26)24(21-20-22)16-6-4-3-5-15(16)19/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyIHSFOUXLXZYMNE-UHFFFAOYSA-N
XLogP2.72
TPSA74.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one (CID 41402586) is 1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one is Cc1cc(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)c(C)n1C1CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one?
The InChIKey is IHSFOUXLXZYMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-11-9-14(12(2)23(11)13-7-8-13)17(25)10-22-18(26)24(21-20-22)16-6-4-3-5-15(16)19/h3-6,9,13H,7-8,10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one?
1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one has a molecular weight of 371.83 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one is sourced from PubChem (CID 41402586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).