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

C24H35N5O3 — CID 42734102

IUPACN-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H35N5O3/c1-24(2,3)20-15-21(29(27-20)18-11-13-19(32-5)14-12-18)26-22(30)16-28(4)23(31)25-17-9-7-6-8-10-17/h11-15,17H,6-10,16H2,1-5H3,(H,25,31)(H,26,30)
InChIKeyKSUHABZXQXUUHA-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.09
Rot. Bonds6

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

N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide (PubChem CID 42734102) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide
PubChem CID42734102
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC NameN-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H35N5O3/c1-24(2,3)20-15-21(29(27-20)18-11-13-19(32-5)14-12-18)26-22(30)16-28(4)23(31)25-17-9-7-6-8-10-17/h11-15,17H,6-10,16H2,1-5H3,(H,25,31)(H,26,30)
InChIKeyKSUHABZXQXUUHA-UHFFFAOYSA-N
XLogP4.09
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(3,4-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 1067272
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide
CID 42734114
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-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide
CID 1067325
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 42733710
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 42733712
3-bromo-N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylbenzamide
CID 42733737
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-pentylcyclobutanecarboxamide
CID 5040658
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide
CID 46114373
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethylpentanamide
CID 42733647
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
CID 42740757
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylcarbamoyl)amino]acetamide
CID 1067207

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide (CID 42734102) is N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide is COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide?
The InChIKey is KSUHABZXQXUUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-24(2,3)20-15-21(29(27-20)18-11-13-19(32-5)14-12-18)26-22(30)16-28(4)23(31)25-17-9-7-6-8-10-17/h11-15,17H,6-10,16H2,1-5H3,(H,25,31)(H,26,30).
What are the key properties of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide?
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide has a molecular weight of 441.58 g/mol, XLogP of 4.09, 6 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-[cyclohexylcarbamoyl(methyl)amino]acetamide is sourced from PubChem (CID 42734102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).