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

C19H20F3N5O2 — CID 166761037

IUPAC1-methyl-3-propan-2-yl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](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)/t11-/m1/s1
InChIKeyDCSRITCIUWGXPY-LLVKDONJSA-N
MW407.40 g/mol
LogP4.10
Rot. Bonds5

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

1-methyl-3-propan-2-yl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide (PubChem CID 166761037) 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-[(1R)-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-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide
PubChem CID166761037
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC Name1-methyl-3-propan-2-yl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](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)/t11-/m1/s1
InChIKeyDCSRITCIUWGXPY-LLVKDONJSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-ethyl-3-isoxazolecarboxamide
CID 44182100
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)picolinamide
CID 57944963
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
US10889564, Example 14
CID 129104702
US10889564, Example 8
CID 129104745
(2S)-N'-tert-butyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-N-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]butanediamide
CID 153140370
3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 156500156
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 5299219
N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980474
N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 24980536
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980540

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-[(1R)-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-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide (CID 166761037) is 1-methyl-3-propan-2-yl-N-[(1R)-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-[(1R)-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-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide is CC(C)c1cc(C(=O)N[C@H](C)c2cc(-c3ccnc(C(F)(F)F)c3)no2)n(C)n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide?
The InChIKey is DCSRITCIUWGXPY-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of 1-methyl-3-propan-2-yl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide?
1-methyl-3-propan-2-yl-N-[(1R)-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-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 166761037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).