1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H13F4N7O — CID 112822525

IUPAC1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1
InChIInChI=1S/C19H13F4N7O/c1-11-26-27-28-29(11)13-6-4-5-12(9-13)25-18(31)14-10-24-30(17(14)19(21,22)23)16-8-3-2-7-15(16)20/h2-10H,1H3,(H,25,31)
InChIKeyJGKNHHFIAKBJMC-UHFFFAOYSA-N
MW431.35 g/mol
LogP3.57
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112822525) has the molecular formula C19H13F4N7O and a molecular weight of 431.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID112822525
Molecular FormulaC19H13F4N7O
Molecular Weight431.35 g/mol
Exact Mass431.11
IUPAC Name1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1
InChIInChI=1S/C19H13F4N7O/c1-11-26-27-28-29(11)13-6-4-5-12(9-13)25-18(31)14-10-24-30(17(14)19(21,22)23)16-8-3-2-7-15(16)20/h2-10H,1H3,(H,25,31)
InChIKeyJGKNHHFIAKBJMC-UHFFFAOYSA-N
XLogP3.57
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822481
1-(2-fluorophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821467
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 136963160
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186
N-[3-(carbamoylamino)phenyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33439470
N-(3,4-dipropoxyphenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813782
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55677099
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112832819
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821285
N-[3-(3-cyanopropoxy)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112846112

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112822525) is 1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1nnnn1-c1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is JGKNHHFIAKBJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N7O/c1-11-26-27-28-29(11)13-6-4-5-12(9-13)25-18(31)14-10-24-30(17(14)19(21,22)23)16-8-3-2-7-15(16)20/h2-10H,1H3,(H,25,31).
What are the key properties of 1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 431.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112822525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).