5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide

C23H28N6O3 — CID 163292051

IUPAC5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide
SMILESCC(C)(C)Cc1cc(NC(=O)Cc2ccc(-c3nn(C4CC4)c(N)c3C(N)=O)cc2)on1
InChIInChI=1S/C23H28N6O3/c1-23(2,3)12-15-11-18(32-28-15)26-17(30)10-13-4-6-14(7-5-13)20-19(22(25)31)21(24)29(27-20)16-8-9-16/h4-7,11,16H,8-10,12,24H2,1-3H3,(H2,25,31)(H,26,30)
InChIKeySSRATFYZYFCISC-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.32
Rot. Bonds7

About 5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide

5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide (PubChem CID 163292051) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide
PubChem CID163292051
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide
SMILESCC(C)(C)Cc1cc(NC(=O)Cc2ccc(-c3nn(C4CC4)c(N)c3C(N)=O)cc2)on1
InChIInChI=1S/C23H28N6O3/c1-23(2,3)12-15-11-18(32-28-15)26-17(30)10-13-4-6-14(7-5-13)20-19(22(25)31)21(24)29(27-20)16-8-9-16/h4-7,11,16H,8-10,12,24H2,1-3H3,(H2,25,31)(H,26,30)
InChIKeySSRATFYZYFCISC-UHFFFAOYSA-N
XLogP3.32
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide
CID 163292001
5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide
CID 164765542
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-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292154
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-[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-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163291915
5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide
CID 162485684
5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[3-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 164765622
5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
CID 167059255
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide (CID 163292051) is 5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide is CC(C)(C)Cc1cc(NC(=O)Cc2ccc(-c3nn(C4CC4)c(N)c3C(N)=O)cc2)on1.
What is the InChIKey of 5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is SSRATFYZYFCISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-23(2,3)12-15-11-18(32-28-15)26-17(30)10-13-4-6-14(7-5-13)20-19(22(25)31)21(24)29(27-20)16-8-9-16/h4-7,11,16H,8-10,12,24H2,1-3H3,(H2,25,31)(H,26,30).
What are the key properties of 5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide?
5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 163292051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).