N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide

C17H14ClF4N5O — CID 76902776

IUPACN-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCc1nc(C(F)(F)F)cn1C(C)C(=O)Nc1cnn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H14ClF4N5O/c1-9(26-8-14(17(20,21)22)24-10(26)2)16(28)25-13-7-23-27(15(13)18)12-5-3-11(19)4-6-12/h3-9H,1-2H3,(H,25,28)
InChIKeyLPYIWPGDIRTQLU-UHFFFAOYSA-N
MW415.78 g/mol
LogP4.39
Rot. Bonds4

About N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide

N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide (PubChem CID 76902776) has the molecular formula C17H14ClF4N5O and a molecular weight of 415.78 g/mol. Its IUPAC name is N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide
PubChem CID76902776
Molecular FormulaC17H14ClF4N5O
Molecular Weight415.78 g/mol
Exact Mass415.08
IUPAC NameN-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCc1nc(C(F)(F)F)cn1C(C)C(=O)Nc1cnn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H14ClF4N5O/c1-9(26-8-14(17(20,21)22)24-10(26)2)16(28)25-13-7-23-27(15(13)18)12-5-3-11(19)4-6-12/h3-9H,1-2H3,(H,25,28)
InChIKeyLPYIWPGDIRTQLU-UHFFFAOYSA-N
XLogP4.39
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide?
The IUPAC name of N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide (CID 76902776) is N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide?
The canonical SMILES for N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide is Cc1nc(C(F)(F)F)cn1C(C)C(=O)Nc1cnn(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide?
The InChIKey is LPYIWPGDIRTQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4N5O/c1-9(26-8-14(17(20,21)22)24-10(26)2)16(28)25-13-7-23-27(15(13)18)12-5-3-11(19)4-6-12/h3-9H,1-2H3,(H,25,28).
What are the key properties of N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide?
N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide has a molecular weight of 415.78 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 76902776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).