5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C19H17F4N5O — CID 122640574

IUPAC5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCc1nn(-c2cccc(F)c2C)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H17F4N5O/c1-3-13-16(17(24)28(27-13)14-6-4-5-12(20)10(14)2)18(29)26-15-8-7-11(9-25-15)19(21,22)23/h4-9H,3,24H2,1-2H3,(H,25,26,29)
InChIKeyUWLSZMSRUXKANW-UHFFFAOYSA-N
MW407.37 g/mol
LogP4.13
Rot. Bonds4

About 5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 122640574) has the molecular formula C19H17F4N5O and a molecular weight of 407.37 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID122640574
Molecular FormulaC19H17F4N5O
Molecular Weight407.37 g/mol
Exact Mass407.14
IUPAC Name5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCc1nn(-c2cccc(F)c2C)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H17F4N5O/c1-3-13-16(17(24)28(27-13)14-6-4-5-12(20)10(14)2)18(29)26-15-8-7-11(9-25-15)19(21,22)23/h4-9H,3,24H2,1-2H3,(H,25,26,29)
InChIKeyUWLSZMSRUXKANW-UHFFFAOYSA-N
XLogP4.13
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 122640574) is 5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CCc1nn(-c2cccc(F)c2C)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is UWLSZMSRUXKANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O/c1-3-13-16(17(24)28(27-13)14-6-4-5-12(20)10(14)2)18(29)26-15-8-7-11(9-25-15)19(21,22)23/h4-9H,3,24H2,1-2H3,(H,25,26,29).
What are the key properties of 5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 407.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-(3-fluoro-2-methylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 122640574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).