4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide

C12H14N6O2 — CID 4835584

IUPAC4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1c1nnnn1-c1ccccc1
InChIInChI=1S/C12H14N6O2/c13-11(20)10-6-9(19)7-17(10)12-14-15-16-18(12)8-4-2-1-3-5-8/h1-5,9-10,19H,6-7H2,(H2,13,20)
InChIKeyJCMCWAFIILCUIK-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.91
Rot. Bonds3

About 4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide

4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 4835584) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID4835584
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1c1nnnn1-c1ccccc1
InChIInChI=1S/C12H14N6O2/c13-11(20)10-6-9(19)7-17(10)12-14-15-16-18(12)8-4-2-1-3-5-8/h1-5,9-10,19H,6-7H2,(H2,13,20)
InChIKeyJCMCWAFIILCUIK-UHFFFAOYSA-N
XLogP-0.91
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide (CID 4835584) is 4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1c1nnnn1-c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is JCMCWAFIILCUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c13-11(20)10-6-9(19)7-17(10)12-14-15-16-18(12)8-4-2-1-3-5-8/h1-5,9-10,19H,6-7H2,(H2,13,20).
What are the key properties of 4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide?
4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 274.28 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-phenyltetrazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4835584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).