N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide

C16H18N6O — CID 91775636

IUPACN-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC(Cn1cccn1)c1ccccc1
InChIInChI=1S/C16H18N6O/c23-16(7-10-22-13-17-12-19-22)20-15(11-21-9-4-8-18-21)14-5-2-1-3-6-14/h1-6,8-9,12-13,15H,7,10-11H2,(H,20,23)
InChIKeyPSVRSRJQSSQYAQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.42
Rot. Bonds7

About N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 91775636) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID91775636
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC(Cn1cccn1)c1ccccc1
InChIInChI=1S/C16H18N6O/c23-16(7-10-22-13-17-12-19-22)20-15(11-21-9-4-8-18-21)14-5-2-1-3-6-14/h1-6,8-9,12-13,15H,7,10-11H2,(H,20,23)
InChIKeyPSVRSRJQSSQYAQ-UHFFFAOYSA-N
XLogP1.42
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94198507
3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
CID 131919618
N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63120307
N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
CID 166406989
N-[(1R)-1-phenylbut-3-ynyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 97057406
N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 80506321
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874
(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 99855935
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 167889266
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 91775636) is N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NC(Cn1cccn1)c1ccccc1.
What is the InChIKey of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is PSVRSRJQSSQYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-16(7-10-22-13-17-12-19-22)20-15(11-21-9-4-8-18-21)14-5-2-1-3-6-14/h1-6,8-9,12-13,15H,7,10-11H2,(H,20,23).
What are the key properties of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 310.36 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 91775636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).