1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide

C19H20F3N5O2 — CID 166761039

IUPAC1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC(C)c2cc(-c3ccnc(C(F)(F)F)c3)no2)n(C)n1
InChIInChI=1S/C19H20F3N5O2/c1-10(2)13-8-15(27(4)25-13)18(28)24-11(3)16-9-14(26-29-16)12-5-6-23-17(7-12)19(20,21)22/h5-11H,1-4H3,(H,24,28)
InChIKeyDCSRITCIUWGXPY-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.10
Rot. Bonds5

About 1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide

1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide (PubChem CID 166761039) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide
PubChem CID166761039
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC Name1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC(C)c2cc(-c3ccnc(C(F)(F)F)c3)no2)n(C)n1
InChIInChI=1S/C19H20F3N5O2/c1-10(2)13-8-15(27(4)25-13)18(28)24-11(3)16-9-14(26-29-16)12-5-6-23-17(7-12)19(20,21)22/h5-11H,1-4H3,(H,24,28)
InChIKeyDCSRITCIUWGXPY-UHFFFAOYSA-N
XLogP4.10
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide (CID 166761039) is 1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide is CC(C)c1cc(C(=O)NC(C)c2cc(-c3ccnc(C(F)(F)F)c3)no2)n(C)n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide?
The InChIKey is DCSRITCIUWGXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-10(2)13-8-15(27(4)25-13)18(28)24-11(3)16-9-14(26-29-16)12-5-6-23-17(7-12)19(20,21)22/h5-11H,1-4H3,(H,24,28).
What are the key properties of 1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide?
1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 166761039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).