N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C21H19F4N5O — CID 71797087

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C21H19F4N5O/c1-30-17(10-16(29-30)13-4-6-14(22)7-5-13)20(31)26-9-8-19-27-15(12-2-3-12)11-18(28-19)21(23,24)25/h4-7,10-12H,2-3,8-9H2,1H3,(H,26,31)
InChIKeyVZUPAWDTQNZMNW-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.88
Rot. Bonds6

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 71797087) has the molecular formula C21H19F4N5O and a molecular weight of 433.41 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID71797087
Molecular FormulaC21H19F4N5O
Molecular Weight433.41 g/mol
Exact Mass433.15
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C21H19F4N5O/c1-30-17(10-16(29-30)13-4-6-14(22)7-5-13)20(31)26-9-8-19-27-15(12-2-3-12)11-18(28-19)21(23,24)25/h4-7,10-12H,2-3,8-9H2,1H3,(H,26,31)
InChIKeyVZUPAWDTQNZMNW-UHFFFAOYSA-N
XLogP3.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide
CID 71797047
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide
CID 71797031
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 71797078
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 86266307
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide
CID 71797067
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide
CID 131703935
3-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 174832317
2-chloro-1-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanone
CID 134085993
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122324623
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832381
N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122243960

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 71797087) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is VZUPAWDTQNZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5O/c1-30-17(10-16(29-30)13-4-6-14(22)7-5-13)20(31)26-9-8-19-27-15(12-2-3-12)11-18(28-19)21(23,24)25/h4-7,10-12H,2-3,8-9H2,1H3,(H,26,31).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 433.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71797087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).