N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide

C16H19N7O — CID 50950440

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C)n(CC(C)NC(=O)c2ccc(-n3cnnn3)cc2)n1
InChIInChI=1S/C16H19N7O/c1-11-8-13(3)22(19-11)9-12(2)18-16(24)14-4-6-15(7-5-14)23-10-17-20-21-23/h4-8,10,12H,9H2,1-3H3,(H,18,24)
InChIKeyUESBFQOLMJQGQE-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.29
Rot. Bonds5

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 50950440) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide
PubChem CID50950440
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C)n(CC(C)NC(=O)c2ccc(-n3cnnn3)cc2)n1
InChIInChI=1S/C16H19N7O/c1-11-8-13(3)22(19-11)9-12(2)18-16(24)14-4-6-15(7-5-14)23-10-17-20-21-23/h4-8,10,12H,9H2,1-3H3,(H,18,24)
InChIKeyUESBFQOLMJQGQE-UHFFFAOYSA-N
XLogP1.29
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 120507810
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95850098
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide (CID 50950440) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide is Cc1cc(C)n(CC(C)NC(=O)c2ccc(-n3cnnn3)cc2)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is UESBFQOLMJQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-11-8-13(3)22(19-11)9-12(2)18-16(24)14-4-6-15(7-5-14)23-10-17-20-21-23/h4-8,10,12H,9H2,1-3H3,(H,18,24).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 325.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 50950440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).