5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide

C20H20ClF3N4O — CID 18980962

IUPAC5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide
SMILESCCNC1(C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClF3N4O/c1-3-25-19(2)12-28(27-17(19)13-4-8-15(21)9-5-13)18(29)26-16-10-6-14(7-11-16)20(22,23)24/h4-11,25H,3,12H2,1-2H3,(H,26,29)
InChIKeyMSWZQHUNHOZRJX-UHFFFAOYSA-N
MW424.85 g/mol
LogP4.98
Rot. Bonds4

About 5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide

5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide (PubChem CID 18980962) has the molecular formula C20H20ClF3N4O and a molecular weight of 424.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide
PubChem CID18980962
Molecular FormulaC20H20ClF3N4O
Molecular Weight424.85 g/mol
Exact Mass424.13
IUPAC Name5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide
SMILESCCNC1(C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClF3N4O/c1-3-25-19(2)12-28(27-17(19)13-4-8-15(21)9-5-13)18(29)26-16-10-6-14(7-11-16)20(22,23)24/h4-11,25H,3,12H2,1-2H3,(H,26,29)
InChIKeyMSWZQHUNHOZRJX-UHFFFAOYSA-N
XLogP4.98
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide (CID 18980962) is 5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide is CCNC1(C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide?
The InChIKey is MSWZQHUNHOZRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N4O/c1-3-25-19(2)12-28(27-17(19)13-4-8-15(21)9-5-13)18(29)26-16-10-6-14(7-11-16)20(22,23)24/h4-11,25H,3,12H2,1-2H3,(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide?
5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide has a molecular weight of 424.85 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(ethylamino)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide is sourced from PubChem (CID 18980962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).