5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide

C15H20N6O2 — CID 134080956

IUPAC5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide
SMILESCC(Cn1cncn1)NC(=O)C1CC(c2ccccc2O)NN1
InChIInChI=1S/C15H20N6O2/c1-10(7-21-9-16-8-17-21)18-15(23)13-6-12(19-20-13)11-4-2-3-5-14(11)22/h2-5,8-10,12-13,19-20,22H,6-7H2,1H3,(H,18,23)
InChIKeyTVWXJVVRSDEFSJ-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.10
Rot. Bonds5

About 5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide

5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide (PubChem CID 134080956) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide
PubChem CID134080956
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide
SMILESCC(Cn1cncn1)NC(=O)C1CC(c2ccccc2O)NN1
InChIInChI=1S/C15H20N6O2/c1-10(7-21-9-16-8-17-21)18-15(23)13-6-12(19-20-13)11-4-2-3-5-14(11)22/h2-5,8-10,12-13,19-20,22H,6-7H2,1H3,(H,18,23)
InChIKeyTVWXJVVRSDEFSJ-UHFFFAOYSA-N
XLogP0.10
TPSA104.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide (CID 134080956) is 5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide is CC(Cn1cncn1)NC(=O)C1CC(c2ccccc2O)NN1.
What is the InChIKey of 5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide?
The InChIKey is TVWXJVVRSDEFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10(7-21-9-16-8-17-21)18-15(23)13-6-12(19-20-13)11-4-2-3-5-14(11)22/h2-5,8-10,12-13,19-20,22H,6-7H2,1H3,(H,18,23).
What are the key properties of 5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide?
5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134080956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).