2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid

C16H17N7O3 — CID 119230638

IUPAC2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1nnnn1C(Cc1ccccc1)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C16H17N7O3/c1-11-18-20-21-23(11)13(9-12-5-3-2-4-6-12)16(26)17-14-7-8-22(19-14)10-15(24)25/h2-8,13H,9-10H2,1H3,(H,24,25)(H,17,19,26)
InChIKeyZIDMXRDTNBUURP-UHFFFAOYSA-N
MW355.36 g/mol
LogP0.69
Rot. Bonds7

About 2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119230638) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119230638
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1nnnn1C(Cc1ccccc1)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C16H17N7O3/c1-11-18-20-21-23(11)13(9-12-5-3-2-4-6-12)16(26)17-14-7-8-22(19-14)10-15(24)25/h2-8,13H,9-10H2,1H3,(H,24,25)(H,17,19,26)
InChIKeyZIDMXRDTNBUURP-UHFFFAOYSA-N
XLogP0.69
TPSA127.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide
CID 86970759
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86970770
2-[3-[(2-benzylsulfanyl-3-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 119230981
N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride
CID 119642838
(2S)-2-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]hexanoic acid
CID 120614831
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47039371
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 111561044
2-[3-[[2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid
CID 138704955
2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
CID 120524711
(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide
CID 119328467
2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231009

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid (CID 119230638) is 2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid is Cc1nnnn1C(Cc1ccccc1)C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is ZIDMXRDTNBUURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-11-18-20-21-23(11)13(9-12-5-3-2-4-6-12)16(26)17-14-7-8-22(19-14)10-15(24)25/h2-8,13H,9-10H2,1H3,(H,24,25)(H,17,19,26).
What are the key properties of 2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 355.36 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).