5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C21H23ClF3N5O2 — CID 163292111

IUPAC5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(Cc3cc(C(C)(C)C(F)(F)F)on3)cc2Cl)c(C(N)=O)c1N
InChIInChI=1S/C21H23ClF3N5O2/c1-10(2)30-18(26)16(19(27)31)17(28-30)13-6-5-11(8-14(13)22)7-12-9-15(32-29-12)20(3,4)21(23,24)25/h5-6,8-10H,7,26H2,1-4H3,(H2,27,31)
InChIKeyQOAOHOCIHQNSJZ-UHFFFAOYSA-N
MW469.90 g/mol
LogP4.88
Rot. Bonds6

About 5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292111) has the molecular formula C21H23ClF3N5O2 and a molecular weight of 469.90 g/mol. Its IUPAC name is 5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163292111
Molecular FormulaC21H23ClF3N5O2
Molecular Weight469.90 g/mol
Exact Mass469.15
IUPAC Name5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(Cc3cc(C(C)(C)C(F)(F)F)on3)cc2Cl)c(C(N)=O)c1N
InChIInChI=1S/C21H23ClF3N5O2/c1-10(2)30-18(26)16(19(27)31)17(28-30)13-6-5-11(8-14(13)22)7-12-9-15(32-29-12)20(3,4)21(23,24)25/h5-6,8-10H,7,26H2,1-4H3,(H2,27,31)
InChIKeyQOAOHOCIHQNSJZ-UHFFFAOYSA-N
XLogP4.88
TPSA112.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292128
5-amino-3-[3-methyl-4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292169
5-amino-3-[4-[2-oxo-2-[[3-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765656
5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 163292126
5-amino-3-[4-[2-[(3-benzyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292118
5-amino-3-[4-[2-[[3-(4-fluorobutyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 167059300
5-amino-3-[5-[2-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163291934
5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164987148
5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765448
5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.0]butanylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 167058943
5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 165043908
2-[4-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-fluorophenyl]-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]acetamide
CID 167058923

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292111) is 5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(Cc3cc(C(C)(C)C(F)(F)F)on3)cc2Cl)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is QOAOHOCIHQNSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N5O2/c1-10(2)30-18(26)16(19(27)31)17(28-30)13-6-5-11(8-14(13)22)7-12-9-15(32-29-12)20(3,4)21(23,24)25/h5-6,8-10H,7,26H2,1-4H3,(H2,27,31).
What are the key properties of 5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 469.90 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).