1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide

C22H19F2N5O — CID 167870149

IUPAC1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)n1
InChIInChI=1S/C22H19F2N5O/c1-13-10-14(2)29(26-13)21-7-5-4-6-18(21)25-22(30)19-11-15(3)28(27-19)20-9-8-16(23)12-17(20)24/h4-12H,1-3H3,(H,25,30)
InChIKeyXTGKLWRUUSKPJL-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.51
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide

1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 167870149) has the molecular formula C22H19F2N5O and a molecular weight of 407.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID167870149
Molecular FormulaC22H19F2N5O
Molecular Weight407.42 g/mol
Exact Mass407.16
IUPAC Name1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)n1
InChIInChI=1S/C22H19F2N5O/c1-13-10-14(2)29(26-13)21-7-5-4-6-18(21)25-22(30)19-11-15(3)28(27-19)20-9-8-16(23)12-17(20)24/h4-12H,1-3H3,(H,25,30)
InChIKeyXTGKLWRUUSKPJL-UHFFFAOYSA-N
XLogP4.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
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N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
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CID 9078569
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N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
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N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
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N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 99625384
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146125638
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide (CID 167870149) is 1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is XTGKLWRUUSKPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O/c1-13-10-14(2)29(26-13)21-7-5-4-6-18(21)25-22(30)19-11-15(3)28(27-19)20-9-8-16(23)12-17(20)24/h4-12H,1-3H3,(H,25,30).
What are the key properties of 1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide?
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 167870149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).