N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide

C24H37N5O3 — CID 42734149

IUPACN-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide
SMILESCCNC(=O)N(CCC(C)C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1
InChIInChI=1S/C24H37N5O3/c1-8-25-23(31)28(14-13-17(2)3)16-22(30)26-21-15-20(24(4,5)6)27-29(21)18-9-11-19(32-7)12-10-18/h9-12,15,17H,8,13-14,16H2,1-7H3,(H,25,31)(H,26,30)
InChIKeyRIOQQUVUOJLVML-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.19
Rot. Bonds9

About N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide

N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide (PubChem CID 42734149) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide
PubChem CID42734149
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC NameN-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide
SMILESCCNC(=O)N(CCC(C)C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1
InChIInChI=1S/C24H37N5O3/c1-8-25-23(31)28(14-13-17(2)3)16-22(30)26-21-15-20(24(4,5)6)27-29(21)18-9-11-19(32-7)12-10-18/h9-12,15,17H,8,13-14,16H2,1-7H3,(H,25,31)(H,26,30)
InChIKeyRIOQQUVUOJLVML-UHFFFAOYSA-N
XLogP4.19
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)cyclohexanecarboxamide
CID 4648754
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 42733618
2-[benzylcarbamoyl(3-methylbutyl)amino]-N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]acetamide
CID 4297758
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(3,4-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4650340
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42734073
N-butyl-N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 3891628
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[pentyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetamide
CID 5137581
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2-chloroacetyl)-propylamino]acetamide
CID 1052225
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(4-chlorophenyl)carbamoyl-propylamino]acetamide
CID 1052641
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]acetamide
CID 3458566
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-fluoro-N-propylbenzamide
CID 42733342
2-[(2-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]acetamide
CID 1052803

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide (CID 42734149) is N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide is CCNC(=O)N(CCC(C)C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1.
What is the InChIKey of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide?
The InChIKey is RIOQQUVUOJLVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-8-25-23(31)28(14-13-17(2)3)16-22(30)26-21-15-20(24(4,5)6)27-29(21)18-9-11-19(32-7)12-10-18/h9-12,15,17H,8,13-14,16H2,1-7H3,(H,25,31)(H,26,30).
What are the key properties of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide?
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide has a molecular weight of 443.59 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethylcarbamoyl(3-methylbutyl)amino]acetamide is sourced from PubChem (CID 42734149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).