N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C21H20F3N5O2 — CID 39038518

IUPACN-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1
InChIInChI=1S/C21H20F3N5O2/c1-12(2)19-17(20(31)28-16-6-4-5-15(9-16)27-13(3)30)11-26-29(19)18-8-7-14(10-25-18)21(22,23)24/h4-12H,1-3H3,(H,27,30)(H,28,31)
InChIKeyADHRBUYASCWRTN-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.62
Rot. Bonds5

About N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 39038518) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID39038518
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC NameN-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1
InChIInChI=1S/C21H20F3N5O2/c1-12(2)19-17(20(31)28-16-6-4-5-15(9-16)27-13(3)30)11-26-29(19)18-8-7-14(10-25-18)21(22,23)24/h4-12H,1-3H3,(H,27,30)(H,28,31)
InChIKeyADHRBUYASCWRTN-UHFFFAOYSA-N
XLogP4.62
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46430085
5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39058873
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 38046765
N-(2-methylpropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041621
(2R)-2-[[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119369745
N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 46480692
N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46605564
N'-[3-(dimethylamino)benzoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39941438
N-(3-carbamoylphenyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25332191
N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041990
N-butyl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46429671
5-propan-2-yl-N'-(4-propan-2-yloxybenzoyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39036337

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 39038518) is N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is ADHRBUYASCWRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-12(2)19-17(20(31)28-16-6-4-5-15(9-16)27-13(3)30)11-26-29(19)18-8-7-14(10-25-18)21(22,23)24/h4-12H,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39038518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).