2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide

C21H19N7O2 — CID 26124459

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C21H19N7O2/c1-13-18(14(2)28(24-13)17-10-5-4-6-11-17)19(29)21(30)22-16-9-7-8-15(12-16)20-23-25-26-27(20)3/h4-12H,1-3H3,(H,22,30)
InChIKeyHAKBAHQQTJYBFH-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.50
Rot. Bonds5

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide (PubChem CID 26124459) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide
PubChem CID26124459
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C21H19N7O2/c1-13-18(14(2)28(24-13)17-10-5-4-6-11-17)19(29)21(30)22-16-9-7-8-15(12-16)20-23-25-26-27(20)3/h4-12H,1-3H3,(H,22,30)
InChIKeyHAKBAHQQTJYBFH-UHFFFAOYSA-N
XLogP2.50
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 41360742
N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 46449018
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 18227715
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059043
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 26122764
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-5-fluoro-4-methylbenzamide
CID 55784945
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
(2R,3S)-2-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 26124952
N-[3-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55532044

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide (CID 26124459) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(-c2nnnn2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide?
The InChIKey is HAKBAHQQTJYBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-13-18(14(2)28(24-13)17-10-5-4-6-11-17)19(29)21(30)22-16-9-7-8-15(12-16)20-23-25-26-27(20)3/h4-12H,1-3H3,(H,22,30).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide has a molecular weight of 401.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 26124459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).