(2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide

C18H16N6O2 — CID 124606164

IUPAC(2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1)n1cncn1
InChIInChI=1S/C18H16N6O2/c1-13(23-12-19-11-20-23)18(25)21-17-9-16(14-7-8-26-10-14)22-24(17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,25)/t13-/m0/s1
InChIKeyDQNCIFCTUWUYIC-ZDUSSCGKSA-N
MW348.37 g/mol
LogP2.92
Rot. Bonds5

About (2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 124606164) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is (2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID124606164
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name(2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1)n1cncn1
InChIInChI=1S/C18H16N6O2/c1-13(23-12-19-11-20-23)18(25)21-17-9-16(14-7-8-26-10-14)22-24(17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,25)/t13-/m0/s1
InChIKeyDQNCIFCTUWUYIC-ZDUSSCGKSA-N
XLogP2.92
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide (CID 124606164) is (2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@@H](C(=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1)n1cncn1.
What is the InChIKey of (2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DQNCIFCTUWUYIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-13(23-12-19-11-20-23)18(25)21-17-9-16(14-7-8-26-10-14)22-24(17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,25)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 348.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 124606164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).