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

C19H17F4N5O — CID 4765958

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H17F4N5O/c20-14-5-1-12(2-6-14)9-27-10-15(8-24-27)25-18(29)11-28-16(13-3-4-13)7-17(26-28)19(21,22)23/h1-2,5-8,10,13H,3-4,9,11H2,(H,25,29)
InChIKeyTWCKDYJLYZVOHJ-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.80
Rot. Bonds6

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide (PubChem CID 4765958) has the molecular formula C19H17F4N5O and a molecular weight of 407.37 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide
PubChem CID4765958
Molecular FormulaC19H17F4N5O
Molecular Weight407.37 g/mol
Exact Mass407.14
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H17F4N5O/c20-14-5-1-12(2-6-14)9-27-10-15(8-24-27)25-18(29)11-28-16(13-3-4-13)7-17(26-28)19(21,22)23/h1-2,5-8,10,13H,3-4,9,11H2,(H,25,29)
InChIKeyTWCKDYJLYZVOHJ-UHFFFAOYSA-N
XLogP3.80
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19520962
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-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19520859
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19526355
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 843513
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19403958
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-(3-fluorophenyl)acetamide
CID 843383
1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19334352
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519217
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19563818
N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 843342

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide (CID 4765958) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is TWCKDYJLYZVOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O/c20-14-5-1-12(2-6-14)9-27-10-15(8-24-27)25-18(29)11-28-16(13-3-4-13)7-17(26-28)19(21,22)23/h1-2,5-8,10,13H,3-4,9,11H2,(H,25,29).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 407.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 4765958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).