1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H21F4N3O2 — CID 112827033

IUPAC1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1
InChIInChI=1S/C22H21F4N3O2/c1-13(2)31-16-8-6-7-15(11-16)14(3)28-21(30)17-12-27-29(20(17)22(24,25)26)19-10-5-4-9-18(19)23/h4-14H,1-3H3,(H,28,30)
InChIKeyCVIFYRHJHYOHFY-UHFFFAOYSA-N
MW435.42 g/mol
LogP5.31
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112827033) has the molecular formula C22H21F4N3O2 and a molecular weight of 435.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID112827033
Molecular FormulaC22H21F4N3O2
Molecular Weight435.42 g/mol
Exact Mass435.16
IUPAC Name1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1
InChIInChI=1S/C22H21F4N3O2/c1-13(2)31-16-8-6-7-15(11-16)14(3)28-21(30)17-12-27-29(20(17)22(24,25)26)19-10-5-4-9-18(19)23/h4-14H,1-3H3,(H,28,30)
InChIKeyCVIFYRHJHYOHFY-UHFFFAOYSA-N
XLogP5.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.42
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55715513
N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119617660
N-[3-(3-cyanopropoxy)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112846112
1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821605
1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821430
N-[3-(difluoromethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55778864
N-(4-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39982766
N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813800
N-(3,4-dipropoxyphenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813782
1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822525
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
2-[[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119358426

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112827033) is 1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)Oc1cccc(C(C)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CVIFYRHJHYOHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3O2/c1-13(2)31-16-8-6-7-15(11-16)14(3)28-21(30)17-12-27-29(20(17)22(24,25)26)19-10-5-4-9-18(19)23/h4-14H,1-3H3,(H,28,30).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 435.42 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112827033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).