5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C24H30N6O3 — CID 163291969

IUPAC5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4(C)CCCC4)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C24H30N6O3/c1-14(2)30-22(25)20(23(26)32)21(28-30)16-8-6-15(7-9-16)12-18(31)27-19-13-17(29-33-19)24(3)10-4-5-11-24/h6-9,13-14H,4-5,10-12,25H2,1-3H3,(H2,26,32)(H,27,31)
InChIKeyVWGSWURGMIQIAM-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.81
Rot. Bonds7

About 5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163291969) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163291969
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4(C)CCCC4)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C24H30N6O3/c1-14(2)30-22(25)20(23(26)32)21(28-30)16-8-6-15(7-9-16)12-18(31)27-19-13-17(29-33-19)24(3)10-4-5-11-24/h6-9,13-14H,4-5,10-12,25H2,1-3H3,(H2,26,32)(H,27,31)
InChIKeyVWGSWURGMIQIAM-UHFFFAOYSA-N
XLogP3.81
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163291969) is 5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4(C)CCCC4)no3)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is VWGSWURGMIQIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-14(2)30-22(25)20(23(26)32)21(28-30)16-8-6-15(7-9-16)12-18(31)27-19-13-17(29-33-19)24(3)10-4-5-11-24/h6-9,13-14H,4-5,10-12,25H2,1-3H3,(H2,26,32)(H,27,31).
What are the key properties of 5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[2-[[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163291969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).