N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide

C26H30N4O2 — CID 42732235

IUPACN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
SMILESCC(C)CN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)C1CCC1
InChIInChI=1S/C26H30N4O2/c1-19(2)17-29(26(32)21-12-9-13-21)18-25(31)27-24-16-23(20-10-5-3-6-11-20)28-30(24)22-14-7-4-8-15-22/h3-8,10-11,14-16,19,21H,9,12-13,17-18H2,1-2H3,(H,27,31)
InChIKeyRVIFCCCTTPSBFZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.76
Rot. Bonds8

About N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide (PubChem CID 42732235) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
PubChem CID42732235
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
SMILESCC(C)CN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)C1CCC1
InChIInChI=1S/C26H30N4O2/c1-19(2)17-29(26(32)21-12-9-13-21)18-25(31)27-24-16-23(20-10-5-3-6-11-20)28-30(24)22-14-7-4-8-15-22/h3-8,10-11,14-16,19,21H,9,12-13,17-18H2,1-2H3,(H,27,31)
InChIKeyRVIFCCCTTPSBFZ-UHFFFAOYSA-N
XLogP4.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 1060914
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 4011810
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42732528
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 42732118
trans-(1R,2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 1052040
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-pentylcyclopentanecarboxamide
CID 3476265
2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 5033485
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
CID 42732122
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42741285
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986712

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide?
The IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide (CID 42732235) is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide?
The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide is CC(C)CN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)C1CCC1.
What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide?
The InChIKey is RVIFCCCTTPSBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19(2)17-29(26(32)21-12-9-13-21)18-25(31)27-24-16-23(20-10-5-3-6-11-20)28-30(24)22-14-7-4-8-15-22/h3-8,10-11,14-16,19,21H,9,12-13,17-18H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide?
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide is sourced from PubChem (CID 42732235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).