N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide

C15H19N5O2 — CID 119856957

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)C2CC(O)CN2)c1
InChIInChI=1S/C15H19N5O2/c1-2-20-9-17-19-14(20)10-4-3-5-11(6-10)18-15(22)13-7-12(21)8-16-13/h3-6,9,12-13,16,21H,2,7-8H2,1H3,(H,18,22)
InChIKeyUHQJOUQHWGOFCM-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.63
Rot. Bonds4

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119856957) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119856957
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)C2CC(O)CN2)c1
InChIInChI=1S/C15H19N5O2/c1-2-20-9-17-19-14(20)10-4-3-5-11(6-10)18-15(22)13-7-12(21)8-16-13/h3-6,9,12-13,16,21H,2,7-8H2,1H3,(H,18,22)
InChIKeyUHQJOUQHWGOFCM-UHFFFAOYSA-N
XLogP0.63
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119856957) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide is CCn1cnnc1-c1cccc(NC(=O)C2CC(O)CN2)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is UHQJOUQHWGOFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-2-20-9-17-19-14(20)10-4-3-5-11(6-10)18-15(22)13-7-12(21)8-16-13/h3-6,9,12-13,16,21H,2,7-8H2,1H3,(H,18,22).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119856957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).