N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide

C20H19N7O — CID 72908148

IUPACN-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
SMILESCc1c(C(C)NC(=O)c2ccccc2-c2nn[nH]n2)cnn1-c1ccccc1
InChIInChI=1S/C20H19N7O/c1-13(18-12-21-27(14(18)2)15-8-4-3-5-9-15)22-20(28)17-11-7-6-10-16(17)19-23-25-26-24-19/h3-13H,1-2H3,(H,22,28)(H,23,24,25,26)
InChIKeyYSTSBEKMSITWOR-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.85
Rot. Bonds5

About N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide

N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide (PubChem CID 72908148) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
PubChem CID72908148
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
SMILESCc1c(C(C)NC(=O)c2ccccc2-c2nn[nH]n2)cnn1-c1ccccc1
InChIInChI=1S/C20H19N7O/c1-13(18-12-21-27(14(18)2)15-8-4-3-5-9-15)22-20(28)17-11-7-6-10-16(17)19-23-25-26-24-19/h3-13H,1-2H3,(H,22,28)(H,23,24,25,26)
InChIKeyYSTSBEKMSITWOR-UHFFFAOYSA-N
XLogP2.85
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 95227310
N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 74250699
1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide
CID 72934825
3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 95150313
N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94806257
N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide
CID 42392061
N-[1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55578660
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761547
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
CID 118793931
2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
CID 47089574
4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938669

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide (CID 72908148) is N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide is Cc1c(C(C)NC(=O)c2ccccc2-c2nn[nH]n2)cnn1-c1ccccc1.
What is the InChIKey of N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
The InChIKey is YSTSBEKMSITWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-13(18-12-21-27(14(18)2)15-8-4-3-5-9-15)22-20(28)17-11-7-6-10-16(17)19-23-25-26-24-19/h3-13H,1-2H3,(H,22,28)(H,23,24,25,26).
What are the key properties of N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide has a molecular weight of 373.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 72908148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).