(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C16H19N7O — CID 31852023

IUPAC(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H19N7O/c1-21(10-14-9-18-22(2)11-14)16(24)15(23-12-17-19-20-23)8-13-6-4-3-5-7-13/h3-7,9,11-12,15H,8,10H2,1-2H3/t15-/m1/s1
InChIKeyZPOGRUXYJVCZGI-OAHLLOKOSA-N
MW325.38 g/mol
LogP0.85
Rot. Bonds6

About (2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 31852023) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID31852023
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H19N7O/c1-21(10-14-9-18-22(2)11-14)16(24)15(23-12-17-19-20-23)8-13-6-4-3-5-7-13/h3-7,9,11-12,15H,8,10H2,1-2H3/t15-/m1/s1
InChIKeyZPOGRUXYJVCZGI-OAHLLOKOSA-N
XLogP0.85
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide
CID 51237834
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 55430363
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
CID 86917229
2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 119863717
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 97193399
(2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 40794418
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 32831551
1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 154735668
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 31852023) is (2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is CN(Cc1cnn(C)c1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is ZPOGRUXYJVCZGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N7O/c1-21(10-14-9-18-22(2)11-14)16(24)15(23-12-17-19-20-23)8-13-6-4-3-5-7-13/h3-7,9,11-12,15H,8,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 325.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 31852023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).