N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide

C24H27N7O — CID 91341752

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
SMILESCCc1nnnn1-c1cc(C(=O)NC(C)c2cn(C)nc2C)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C24H27N7O/c1-6-23-26-28-29-31(23)21-12-19(18-9-7-15(2)8-10-18)11-20(13-21)24(32)25-16(3)22-14-30(5)27-17(22)4/h7-14,16H,6H2,1-5H3,(H,25,32)
InChIKeyYDTPJHPVEAZRAU-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.73
Rot. Bonds6

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide (PubChem CID 91341752) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
PubChem CID91341752
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
SMILESCCc1nnnn1-c1cc(C(=O)NC(C)c2cn(C)nc2C)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C24H27N7O/c1-6-23-26-28-29-31(23)21-12-19(18-9-7-15(2)8-10-18)11-20(13-21)24(32)25-16(3)22-14-30(5)27-17(22)4/h7-14,16H,6H2,1-5H3,(H,25,32)
InChIKeyYDTPJHPVEAZRAU-UHFFFAOYSA-N
XLogP3.73
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
CID 91488299
3-(5-ethyltetrazol-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-(4-methylphenyl)benzamide
CID 122640785
N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90728432
3-(4-methylphenyl)-5-(5-propyltetrazol-1-yl)benzoic acid
CID 69004448
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505838
N-[1-[[(2R)-3-chloro-2-fluoropropyl]amino]propan-2-yl]-3-(2-chloro-4-methylphenyl)-5-(5-ethyltetrazol-1-yl)benzamide
CID 90844883
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 122505851
N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90926757
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
CID 69004377
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate
CID 122635642
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide (CID 91341752) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide is CCc1nnnn1-c1cc(C(=O)NC(C)c2cn(C)nc2C)cc(-c2ccc(C)cc2)c1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide?
The InChIKey is YDTPJHPVEAZRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-6-23-26-28-29-31(23)21-12-19(18-9-7-15(2)8-10-18)11-20(13-21)24(32)25-16(3)22-14-30(5)27-17(22)4/h7-14,16H,6H2,1-5H3,(H,25,32).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide has a molecular weight of 429.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide is sourced from PubChem (CID 91341752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).