(2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C15H16N6O2 — CID 97225492

IUPAC(2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc(Oc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)n[nH]1
InChIInChI=1S/C15H16N6O2/c1-10-7-14(20-19-10)23-13-5-3-12(4-6-13)18-15(22)11(2)21-9-16-8-17-21/h3-9,11H,1-2H3,(H,18,22)(H,19,20)/t11-/m0/s1
InChIKeyFBAVPLJVHBQQSP-NSHDSACASA-N
MW312.33 g/mol
LogP2.30
Rot. Bonds5

About (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 97225492) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID97225492
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name(2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc(Oc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)n[nH]1
InChIInChI=1S/C15H16N6O2/c1-10-7-14(20-19-10)23-13-5-3-12(4-6-13)18-15(22)11(2)21-9-16-8-17-21/h3-9,11H,1-2H3,(H,18,22)(H,19,20)/t11-/m0/s1
InChIKeyFBAVPLJVHBQQSP-NSHDSACASA-N
XLogP2.30
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

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Related Compounds

N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
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6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide
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2-amino-3-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide;dihydrochloride
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3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
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(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
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5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide
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N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42957341
N-(4-bromo-3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 113231155
2,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinoxaline-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 97225492) is (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is Cc1cc(Oc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)n[nH]1.
What is the InChIKey of (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FBAVPLJVHBQQSP-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N6O2/c1-10-7-14(20-19-10)23-13-5-3-12(4-6-13)18-15(22)11(2)21-9-16-8-17-21/h3-9,11H,1-2H3,(H,18,22)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 312.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 97225492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).