N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide

C22H20FN5O — CID 55892665

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)Nc3ccc(-n4nc(C)cc4C)c(F)c3)cc2)c1
InChIInChI=1S/C22H20FN5O/c1-14-12-24-27(13-14)19-7-4-17(5-8-19)22(29)25-18-6-9-21(20(23)11-18)28-16(3)10-15(2)26-28/h4-13H,1-3H3,(H,25,29)
InChIKeyHENJBHSNOIPMNN-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.37
Rot. Bonds4

About N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide (PubChem CID 55892665) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
PubChem CID55892665
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)Nc3ccc(-n4nc(C)cc4C)c(F)c3)cc2)c1
InChIInChI=1S/C22H20FN5O/c1-14-12-24-27(13-14)19-7-4-17(5-8-19)22(29)25-18-6-9-21(20(23)11-18)28-16(3)10-15(2)26-28/h4-13H,1-3H3,(H,25,29)
InChIKeyHENJBHSNOIPMNN-UHFFFAOYSA-N
XLogP4.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 87026056
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 51085319
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55891126
tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 55801691
1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55817606
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146125638
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 146153671
3-fluoro-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 71874249
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146123159

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide (CID 55892665) is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide is Cc1cnn(-c2ccc(C(=O)Nc3ccc(-n4nc(C)cc4C)c(F)c3)cc2)c1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide?
The InChIKey is HENJBHSNOIPMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-12-24-27(13-14)19-7-4-17(5-8-19)22(29)25-18-6-9-21(20(23)11-18)28-16(3)10-15(2)26-28/h4-13H,1-3H3,(H,25,29).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide?
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide has a molecular weight of 389.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 55892665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).