5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide

C21H21N7O — CID 166324368

IUPAC5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H21N7O/c1-14(16-9-6-10-17(12-16)20-24-26-27-25-20)23-21(29)18-13-22-28(2)19(18)11-15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,23,29)(H,24,25,26,27)
InChIKeyBGNOXPRWNUHFBQ-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.68
Rot. Bonds6

About 5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide

5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 166324368) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID166324368
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H21N7O/c1-14(16-9-6-10-17(12-16)20-24-26-27-25-20)23-21(29)18-13-22-28(2)19(18)11-15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,23,29)(H,24,25,26,27)
InChIKeyBGNOXPRWNUHFBQ-UHFFFAOYSA-N
XLogP2.68
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide
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N-[1-[4-(6-aminopurin-9-yl)phenyl]ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide
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2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide
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2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-5-benzyl-1-methylpyrazole-4-carboxamide
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5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
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2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
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N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide (CID 166324368) is 5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is BGNOXPRWNUHFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-14(16-9-6-10-17(12-16)20-24-26-27-25-20)23-21(29)18-13-22-28(2)19(18)11-15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,23,29)(H,24,25,26,27).
What are the key properties of 5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide?
5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166324368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).