5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide

C29H32ClN5O3 — CID 59420451

IUPAC5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
SMILESCCCCc1c(C(=O)Nc2ccc(NC(=O)Cc3cc(C(C)(C)C)on3)cc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C29H32ClN5O3/c1-5-6-10-25-24(18-31-35(25)23-9-7-8-19(30)15-23)28(37)33-21-13-11-20(12-14-21)32-27(36)17-22-16-26(38-34-22)29(2,3)4/h7-9,11-16,18H,5-6,10,17H2,1-4H3,(H,32,36)(H,33,37)
InChIKeyYGIUGYMGZLHWTK-UHFFFAOYSA-N
MW534.06 g/mol
LogP6.59
Rot. Bonds9

About 5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide

5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 59420451) has the molecular formula C29H32ClN5O3 and a molecular weight of 534.06 g/mol. Its IUPAC name is 5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
PubChem CID59420451
Molecular FormulaC29H32ClN5O3
Molecular Weight534.06 g/mol
Exact Mass533.22
IUPAC Name5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
SMILESCCCCc1c(C(=O)Nc2ccc(NC(=O)Cc3cc(C(C)(C)C)on3)cc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C29H32ClN5O3/c1-5-6-10-25-24(18-31-35(25)23-9-7-8-19(30)15-23)28(37)33-21-13-11-20(12-14-21)32-27(36)17-22-16-26(38-34-22)29(2,3)4/h7-9,11-16,18H,5-6,10,17H2,1-4H3,(H,32,36)(H,33,37)
InChIKeyYGIUGYMGZLHWTK-UHFFFAOYSA-N
XLogP6.59
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.06
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide (CID 59420451) is 5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide is CCCCc1c(C(=O)Nc2ccc(NC(=O)Cc3cc(C(C)(C)C)on3)cc2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is YGIUGYMGZLHWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN5O3/c1-5-6-10-25-24(18-31-35(25)23-9-7-8-19(30)15-23)28(37)33-21-13-11-20(12-14-21)32-27(36)17-22-16-26(38-34-22)29(2,3)4/h7-9,11-16,18H,5-6,10,17H2,1-4H3,(H,32,36)(H,33,37).
What are the key properties of 5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide?
5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide has a molecular weight of 534.06 g/mol, XLogP of 6.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59420451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).