N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide

C21H23BrN4O3 — CID 112813566

IUPACN-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)CNC(=O)c2ccc(Br)o2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H23BrN4O3/c1-21(2,3)16-11-18(26(25-16)13-14-7-5-4-6-8-14)24-19(27)12-23-20(28)15-9-10-17(22)29-15/h4-11H,12-13H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyBLHUAZXZDPJFHJ-UHFFFAOYSA-N
MW459.34 g/mol
LogP3.95
Rot. Bonds6

About N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide

N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide (PubChem CID 112813566) has the molecular formula C21H23BrN4O3 and a molecular weight of 459.34 g/mol. Its IUPAC name is N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide
PubChem CID112813566
Molecular FormulaC21H23BrN4O3
Molecular Weight459.34 g/mol
Exact Mass458.10
IUPAC NameN-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)CNC(=O)c2ccc(Br)o2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H23BrN4O3/c1-21(2,3)16-11-18(26(25-16)13-14-7-5-4-6-8-14)24-19(27)12-23-20(28)15-9-10-17(22)29-15/h4-11H,12-13H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyBLHUAZXZDPJFHJ-UHFFFAOYSA-N
XLogP3.95
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 1017805
N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2812003
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-furamide
CID 2809604
5-bromo-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 3235687
5-bromo-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 3241356
5-bromo-N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)furan-2-carboxamide
CID 18581232
5-bromo-N-[4-(6-piperidinopyridazin-3-yl)phenyl]-2-furamide
CID 18581286
N-(2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethyl)furan-2-carboxamide
CID 49862398
5-(4-bromophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 649389
5-Bromo-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-YL]piperidin-3-YL}furan-2-carboxamide
CID 91887853
3-tert-Butyl-5-{[(furan-2-ylmethyl)-amino]-methyl}-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135450638

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide (CID 112813566) is N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide is CC(C)(C)c1cc(NC(=O)CNC(=O)c2ccc(Br)o2)n(Cc2ccccc2)n1.
What is the InChIKey of N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
The InChIKey is BLHUAZXZDPJFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O3/c1-21(2,3)16-11-18(26(25-16)13-14-7-5-4-6-8-14)24-19(27)12-23-20(28)15-9-10-17(22)29-15/h4-11H,12-13H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide has a molecular weight of 459.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 112813566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).