N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide

C25H44N4O2 — CID 42733223

IUPACN-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)CCC1CCCC1
InChIInChI=1S/C25H44N4O2/c1-8-9-16-28(23(31)15-14-19-12-10-11-13-19)18-22(30)26-21-17-20(24(2,3)4)27-29(21)25(5,6)7/h17,19H,8-16,18H2,1-7H3,(H,26,30)
InChIKeyVEZJMSADHGZIST-UHFFFAOYSA-N
MW432.65 g/mol
LogP5.47
Rot. Bonds9

About N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide

N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide (PubChem CID 42733223) has the molecular formula C25H44N4O2 and a molecular weight of 432.65 g/mol. Its IUPAC name is N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide
PubChem CID42733223
Molecular FormulaC25H44N4O2
Molecular Weight432.65 g/mol
Exact Mass432.35
IUPAC NameN-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)CCC1CCCC1
InChIInChI=1S/C25H44N4O2/c1-8-9-16-28(23(31)15-14-19-12-10-11-13-19)18-22(30)26-21-17-20(24(2,3)4)27-29(21)25(5,6)7/h17,19H,8-16,18H2,1-7H3,(H,26,30)
InChIKeyVEZJMSADHGZIST-UHFFFAOYSA-N
XLogP5.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]heptanamide
CID 42740507
N-butyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 42733222
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 42732187
N-butyl-2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 3621663
2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740478
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
CID 42733927
N-butyl-N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]pentanamide
CID 42732317
N-butyl-N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]pentanamide
CID 42732351
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)dodecanamide
CID 3942086
N-butyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]propanamide
CID 42733561
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
CID 4555116
N-butyl-N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]nonanamide
CID 4253712

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide?
The IUPAC name of N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide (CID 42733223) is N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide is CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)CCC1CCCC1.
What is the InChIKey of N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide?
The InChIKey is VEZJMSADHGZIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N4O2/c1-8-9-16-28(23(31)15-14-19-12-10-11-13-19)18-22(30)26-21-17-20(24(2,3)4)27-29(21)25(5,6)7/h17,19H,8-16,18H2,1-7H3,(H,26,30).
What are the key properties of N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide?
N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 432.65 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 42733223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).