N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide

C21H21N7O — CID 32544801

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H21N7O/c1-15-20(16(2)28(23-15)19-7-5-4-6-8-19)13-26(3)21(29)17-9-11-18(12-10-17)27-14-22-24-25-27/h4-12,14H,13H2,1-3H3
InChIKeyNDQPUQDTQZWOKZ-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.74
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 32544801) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID32544801
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H21N7O/c1-15-20(16(2)28(23-15)19-7-5-4-6-8-19)13-26(3)21(29)17-9-11-18(12-10-17)27-14-22-24-25-27/h4-12,14H,13H2,1-3H3
InChIKeyNDQPUQDTQZWOKZ-UHFFFAOYSA-N
XLogP2.74
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-methylsulfinylbenzamide
CID 51187625
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CID 51331839
3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-pyrrol-1-ylbenzamide
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 33214740
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 9462410
3-benzyl-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylurea
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CID 78799265
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9206070
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-propan-2-ylsulfanylbenzamide
CID 55371620
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide (CID 32544801) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is NDQPUQDTQZWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-15-20(16(2)28(23-15)19-7-5-4-6-8-19)13-26(3)21(29)17-9-11-18(12-10-17)27-14-22-24-25-27/h4-12,14H,13H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 387.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 32544801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).