N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride

C23H37ClN4O — CID 119526626

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NCC(N)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C23H36N4O.ClH/c1-15(2)14-27-18(6)21(17(5)26-27)11-12-23(28)25-13-22(24)20-9-7-19(8-10-20)16(3)4;/h7-10,15-16,22H,11-14,24H2,1-6H3,(H,25,28);1H
InChIKeyTZHLNCUFZWAYRX-UHFFFAOYSA-N
MW421.03 g/mol
LogP4.45
Rot. Bonds9

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride (PubChem CID 119526626) has the molecular formula C23H37ClN4O and a molecular weight of 421.03 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
PubChem CID119526626
Molecular FormulaC23H37ClN4O
Molecular Weight421.03 g/mol
Exact Mass420.27
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NCC(N)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C23H36N4O.ClH/c1-15(2)14-27-18(6)21(17(5)26-27)11-12-23(28)25-13-22(24)20-9-7-19(8-10-20)16(3)4;/h7-10,15-16,22H,11-14,24H2,1-6H3,(H,25,28);1H
InChIKeyTZHLNCUFZWAYRX-UHFFFAOYSA-N
XLogP4.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.03
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 43035284
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CID 119525595
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 43044850
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CID 39112466
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylsulfonylpropyl)propanamide
CID 60550127
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978444
N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 120568461
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119526824
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358059
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(2,6-dimethylphenoxy)ethyl]propanamide
CID 55716936
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(N-methylanilino)ethyl]propanamide
CID 31688293
5-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]furan-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride (CID 119526626) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride is Cc1nn(CC(C)C)c(C)c1CCC(=O)NCC(N)c1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride?
The InChIKey is TZHLNCUFZWAYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O.ClH/c1-15(2)14-27-18(6)21(17(5)26-27)11-12-23(28)25-13-22(24)20-9-7-19(8-10-20)16(3)4;/h7-10,15-16,22H,11-14,24H2,1-6H3,(H,25,28);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride has a molecular weight of 421.03 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride is sourced from PubChem (CID 119526626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).