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

C19H29ClN4O — CID 120568461

IUPACN-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCc1c(C)nn(CC(C)C)c1C.Cl
InChIInChI=1S/C19H28N4O.ClH/c1-12(2)11-23-15(5)17(14(4)22-23)8-9-19(24)21-18-10-16(20)7-6-13(18)3;/h6-7,10,12H,8-9,11,20H2,1-5H3,(H,21,24);1H
InChIKeyPDDUZGMODOFSOJ-UHFFFAOYSA-N
MW364.92 g/mol
LogP4.04
Rot. Bonds6

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

N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride (PubChem CID 120568461) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
PubChem CID120568461
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC NameN-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCc1c(C)nn(CC(C)C)c1C.Cl
InChIInChI=1S/C19H28N4O.ClH/c1-12(2)11-23-15(5)17(14(4)22-23)8-9-19(24)21-18-10-16(20)7-6-13(18)3;/h6-7,10,12H,8-9,11,20H2,1-5H3,(H,21,24);1H
InChIKeyPDDUZGMODOFSOJ-UHFFFAOYSA-N
XLogP4.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 24502572
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 43021005
N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61225930
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide
CID 134050842
N-[2-(difluoromethoxy)phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37314274
4-chloro-2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807538
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225538
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
CID 37065850

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride (CID 120568461) is N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride is Cc1ccc(N)cc1NC(=O)CCc1c(C)nn(CC(C)C)c1C.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride?
The InChIKey is PDDUZGMODOFSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.ClH/c1-12(2)11-23-15(5)17(14(4)22-23)8-9-19(24)21-18-10-16(20)7-6-13(18)3;/h6-7,10,12H,8-9,11,20H2,1-5H3,(H,21,24);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride is sourced from PubChem (CID 120568461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).