N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide

C15H18N8O — CID 95744341

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)CCn1cc(NC(=O)c2cccc(-n3cnnn3)c2)cn1
InChIInChI=1S/C15H18N8O/c1-21(2)6-7-22-10-13(9-17-22)18-15(24)12-4-3-5-14(8-12)23-11-16-19-20-23/h3-5,8-11H,6-7H2,1-2H3,(H,18,24)
InChIKeyDJIBKTNAACQDET-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.67
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 95744341) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID95744341
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)CCn1cc(NC(=O)c2cccc(-n3cnnn3)c2)cn1
InChIInChI=1S/C15H18N8O/c1-21(2)6-7-22-10-13(9-17-22)18-15(24)12-4-3-5-14(8-12)23-11-16-19-20-23/h3-5,8-11H,6-7H2,1-2H3,(H,18,24)
InChIKeyDJIBKTNAACQDET-UHFFFAOYSA-N
XLogP0.67
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 862161
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]benzamide
CID 122632845
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide (CID 95744341) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide is CN(C)CCn1cc(NC(=O)c2cccc(-n3cnnn3)c2)cn1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is DJIBKTNAACQDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-21(2)6-7-22-10-13(9-17-22)18-15(24)12-4-3-5-14(8-12)23-11-16-19-20-23/h3-5,8-11H,6-7H2,1-2H3,(H,18,24).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 326.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 95744341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).