(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide

C15H18N6O — CID 119276607

IUPAC(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCCN1
InChIInChI=1S/C15H18N6O/c22-15(13-5-2-8-16-13)17-11-4-1-3-10(9-11)14-18-19-20-21(14)12-6-7-12/h1,3-4,9,12-13,16H,2,5-8H2,(H,17,22)/t13-/m0/s1
InChIKeyAWCRNEZEFFKAIE-ZDUSSCGKSA-N
MW298.35 g/mol
LogP1.37
Rot. Bonds4

About (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide

(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119276607) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119276607
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCCN1
InChIInChI=1S/C15H18N6O/c22-15(13-5-2-8-16-13)17-11-4-1-3-10(9-11)14-18-19-20-21(14)12-6-7-12/h1,3-4,9,12-13,16H,2,5-8H2,(H,17,22)/t13-/m0/s1
InChIKeyAWCRNEZEFFKAIE-ZDUSSCGKSA-N
XLogP1.37
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide (CID 119276607) is (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is AWCRNEZEFFKAIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N6O/c22-15(13-5-2-8-16-13)17-11-4-1-3-10(9-11)14-18-19-20-21(14)12-6-7-12/h1,3-4,9,12-13,16H,2,5-8H2,(H,17,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119276607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).