N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C19H16ClF4N5O — CID 19520962

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cnn(Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C19H16ClF4N5O/c20-15-5-13(21)4-3-12(15)8-28-9-14(7-25-28)26-18(30)10-29-16(11-1-2-11)6-17(27-29)19(22,23)24/h3-7,9,11H,1-2,8,10H2,(H,26,30)
InChIKeyILSYPMYOYXBASN-UHFFFAOYSA-N
MW441.82 g/mol
LogP4.46
Rot. Bonds6

About N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19520962) has the molecular formula C19H16ClF4N5O and a molecular weight of 441.82 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19520962
Molecular FormulaC19H16ClF4N5O
Molecular Weight441.82 g/mol
Exact Mass441.10
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cnn(Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C19H16ClF4N5O/c20-15-5-13(21)4-3-12(15)8-28-9-14(7-25-28)26-18(30)10-29-16(11-1-2-11)6-17(27-29)19(22,23)24/h3-7,9,11H,1-2,8,10H2,(H,26,30)
InChIKeyILSYPMYOYXBASN-UHFFFAOYSA-N
XLogP4.46
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide
CID 4765958
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19520859
N-(3-chloro-4-fluorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 998379
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19526355
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19526311
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 843383
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19412651
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19563818
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19336125
N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 843342
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19564064
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19535034

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19520962) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cnn(Cc2ccc(F)cc2Cl)c1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ILSYPMYOYXBASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF4N5O/c20-15-5-13(21)4-3-12(15)8-28-9-14(7-25-28)26-18(30)10-29-16(11-1-2-11)6-17(27-29)19(22,23)24/h3-7,9,11H,1-2,8,10H2,(H,26,30).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 441.82 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19520962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).