(1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C17H21FN4O2 — CID 55401785

IUPAC(1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCCCn1nnnc1COC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H21FN4O2/c1-2-11-22-15(19-20-21-22)12-24-16(23)17(9-3-4-10-17)13-5-7-14(18)8-6-13/h5-8H,2-4,9-12H2,1H3
InChIKeyPLJCUYQINVJKIK-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.78
Rot. Bonds6

About (1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

(1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 55401785) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID55401785
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCCCn1nnnc1COC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H21FN4O2/c1-2-11-22-15(19-20-21-22)12-24-16(23)17(9-3-4-10-17)13-5-7-14(18)8-6-13/h5-8H,2-4,9-12H2,1H3
InChIKeyPLJCUYQINVJKIK-UHFFFAOYSA-N
XLogP2.78
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 55401785) is (1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is CCCn1nnnc1COC(=O)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is PLJCUYQINVJKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-2-11-22-15(19-20-21-22)12-24-16(23)17(9-3-4-10-17)13-5-7-14(18)8-6-13/h5-8H,2-4,9-12H2,1H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
(1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 55401785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).