N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide

C22H25ClN4O3 — CID 55522244

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H25ClN4O3/c1-5-26(14-20(28)24-22(2,3)4)21(29)17-13-18(19-10-7-11-30-19)27(25-17)16-9-6-8-15(23)12-16/h6-13H,5,14H2,1-4H3,(H,24,28)
InChIKeyGGYCDPBWHHLBEL-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.16
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 55522244) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide
PubChem CID55522244
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H25ClN4O3/c1-5-26(14-20(28)24-22(2,3)4)21(29)17-13-18(19-10-7-11-30-19)27(25-17)16-9-6-8-15(23)12-16/h6-13H,5,14H2,1-4H3,(H,24,28)
InChIKeyGGYCDPBWHHLBEL-UHFFFAOYSA-N
XLogP4.16
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide
CID 55862493
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509601
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide
CID 49395004
1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
CID 32738812
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
CID 32614568
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
CID 31935792
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 25333179
1-(3-chlorophenyl)-N'-(2,5-dimethylfuran-3-carbonyl)-5-(furan-2-yl)pyrazole-3-carbohydrazide
CID 32617649
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55991120
methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55845539

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide (CID 55522244) is N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide?
The InChIKey is GGYCDPBWHHLBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-5-26(14-20(28)24-22(2,3)4)21(29)17-13-18(19-10-7-11-30-19)27(25-17)16-9-6-8-15(23)12-16/h6-13H,5,14H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 55522244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).