3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid

C16H16N6O3 — CID 19491822

IUPAC3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nccc1C(=O)Nc1ncn(Cc2ccccc2)n1
InChIInChI=1S/C16H16N6O3/c23-14(24)7-9-22-13(6-8-18-22)15(25)19-16-17-11-21(20-16)10-12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H,23,24)(H,19,20,25)
InChIKeyWAVGOBLYUKIJSC-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.25
Rot. Bonds7

About 3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid

3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19491822) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19491822
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nccc1C(=O)Nc1ncn(Cc2ccccc2)n1
InChIInChI=1S/C16H16N6O3/c23-14(24)7-9-22-13(6-8-18-22)15(25)19-16-17-11-21(20-16)10-12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H,23,24)(H,19,20,25)
InChIKeyWAVGOBLYUKIJSC-UHFFFAOYSA-N
XLogP1.25
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482583
2-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487691
N-(1-benzyl-1,2,4-triazol-3-yl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19475154
3-[5-[[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490143
2-[5-[[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487690
N-(1-benzyl-1,2,4-triazol-3-yl)-2,6-difluorobenzamide
CID 4867026
3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490105
N-(1-benzyl-1,2,4-triazol-3-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55862882
2-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19506896
(2S)-N-(1-benzyl-1,2,4-triazol-3-yl)-2-methylbutanamide
CID 94221424
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481392
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507192

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19491822) is 3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1nccc1C(=O)Nc1ncn(Cc2ccccc2)n1.
What is the InChIKey of 3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is WAVGOBLYUKIJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c23-14(24)7-9-22-13(6-8-18-22)15(25)19-16-17-11-21(20-16)10-12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H,23,24)(H,19,20,25).
What are the key properties of 3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 340.34 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).