2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid

C16H17N7O3 — CID 46994156

IUPAC2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1NC(=O)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C16H17N7O3/c1-10-15(11(2)23(19-10)8-14(24)25)18-16(26)13-5-3-12(4-6-13)7-22-9-17-20-21-22/h3-6,9H,7-8H2,1-2H3,(H,18,26)(H,24,25)
InChIKeyFZMTYONUWBWZPP-UHFFFAOYSA-N
MW355.36 g/mol
LogP0.87
Rot. Bonds6

About 2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid

2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 46994156) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID46994156
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1NC(=O)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C16H17N7O3/c1-10-15(11(2)23(19-10)8-14(24)25)18-16(26)13-5-3-12(4-6-13)7-22-9-17-20-21-22/h3-6,9H,7-8H2,1-2H3,(H,18,26)(H,24,25)
InChIKeyFZMTYONUWBWZPP-UHFFFAOYSA-N
XLogP0.87
TPSA127.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide
CID 46978677
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872
2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482356
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 19335845
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-nitrobenzamide
CID 17088718
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19335847
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-diethoxybenzamide
CID 19411767
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 100906614
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756
4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19411842

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid (CID 46994156) is 2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid is Cc1nn(CC(=O)O)c(C)c1NC(=O)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is FZMTYONUWBWZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-10-15(11(2)23(19-10)8-14(24)25)18-16(26)13-5-3-12(4-6-13)7-22-9-17-20-21-22/h3-6,9H,7-8H2,1-2H3,(H,18,26)(H,24,25).
What are the key properties of 2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid?
2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 355.36 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 46994156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).