N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide

C21H16F3N5O — CID 167778844

IUPACN-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ccn(Cc3ccccc3)n2)[nH]n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3N5O/c22-21(23,24)16-8-4-7-15(11-16)20(30)25-19-12-18(26-27-19)17-9-10-29(28-17)13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,25,26,27,30)
InChIKeyJBVNHXMDDZQQPH-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.59
Rot. Bonds5

About N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide

N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 167778844) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID167778844
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC NameN-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ccn(Cc3ccccc3)n2)[nH]n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3N5O/c22-21(23,24)16-8-4-7-15(11-16)20(30)25-19-12-18(26-27-19)17-9-10-29(28-17)13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,25,26,27,30)
InChIKeyJBVNHXMDDZQQPH-UHFFFAOYSA-N
XLogP4.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19407133
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285757
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19283768
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19403194
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 95752913
N-[3-[[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 44536868
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19285184
1-N,3-N-bis(5-pyridin-2-yl-1H-pyrazol-3-yl)benzene-1,3-dicarboxamide
CID 102492957

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide (CID 167778844) is N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1cc(-c2ccn(Cc3ccccc3)n2)[nH]n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is JBVNHXMDDZQQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c22-21(23,24)16-8-4-7-15(11-16)20(30)25-19-12-18(26-27-19)17-9-10-29(28-17)13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,25,26,27,30).
What are the key properties of N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 411.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzylpyrazol-3-yl)-1H-pyrazol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 167778844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).