N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide

C23H36N4O — CID 119599585

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1ccc(Cn2nc(C)c(CCC(=O)NC(C)(CN)CC(C)C)c2C)cc1
InChIInChI=1S/C23H36N4O/c1-16(2)13-23(6,15-24)25-22(28)12-11-21-18(4)26-27(19(21)5)14-20-9-7-17(3)8-10-20/h7-10,16H,11-15,24H2,1-6H3,(H,25,28)
InChIKeyOBVQRXUOWGTFQL-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.67
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 119599585) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID119599585
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1ccc(Cn2nc(C)c(CCC(=O)NC(C)(CN)CC(C)C)c2C)cc1
InChIInChI=1S/C23H36N4O/c1-16(2)13-23(6,15-24)25-22(28)12-11-21-18(4)26-27(19(21)5)14-20-9-7-17(3)8-10-20/h7-10,16H,11-15,24H2,1-6H3,(H,25,28)
InChIKeyOBVQRXUOWGTFQL-UHFFFAOYSA-N
XLogP3.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 119571153
N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 119407891
N-(2-aminophenyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide;hydrochloride
CID 119422553
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 86809135
2-cyclopropyl-2-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoylamino]acetic acid
CID 119213968
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119599640
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide;hydrochloride
CID 119598374
N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 119570899
1-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 119125103
N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119570898
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
CID 122080678
2-[butan-2-yl-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoyl]amino]acetic acid
CID 119955113

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide (CID 119599585) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide is Cc1ccc(Cn2nc(C)c(CCC(=O)NC(C)(CN)CC(C)C)c2C)cc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is OBVQRXUOWGTFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-16(2)13-23(6,15-24)25-22(28)12-11-21-18(4)26-27(19(21)5)14-20-9-7-17(3)8-10-20/h7-10,16H,11-15,24H2,1-6H3,(H,25,28).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 384.57 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 119599585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).