2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide

C20H26N6O — CID 87035105

IUPAC2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)N1CCCC1C1CCCC1
InChIInChI=1S/C20H26N6O/c27-20(25-13-3-6-18(25)14-4-1-2-5-14)21-16-9-7-15(8-10-16)19-22-23-24-26(19)17-11-12-17/h7-10,14,17-18H,1-6,11-13H2,(H,21,27)
InChIKeyIRBVNJUKJGHOBA-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.86
Rot. Bonds4

About 2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide

2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 87035105) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID87035105
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)N1CCCC1C1CCCC1
InChIInChI=1S/C20H26N6O/c27-20(25-13-3-6-18(25)14-4-1-2-5-14)21-16-9-7-15(8-10-16)19-22-23-24-26(19)17-11-12-17/h7-10,14,17-18H,1-6,11-13H2,(H,21,27)
InChIKeyIRBVNJUKJGHOBA-UHFFFAOYSA-N
XLogP3.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide (CID 87035105) is 2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)N1CCCC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is IRBVNJUKJGHOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-20(25-13-3-6-18(25)14-4-1-2-5-14)21-16-9-7-15(8-10-16)19-22-23-24-26(19)17-11-12-17/h7-10,14,17-18H,1-6,11-13H2,(H,21,27).
What are the key properties of 2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87035105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).