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

C19H28N4O — CID 119407891

IUPACN-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1ccc(Cn2nc(C)c(CCC(=O)NCCCN)c2C)cc1
InChIInChI=1S/C19H28N4O/c1-14-5-7-17(8-6-14)13-23-16(3)18(15(2)22-23)9-10-19(24)21-12-4-11-20/h5-8H,4,9-13,20H2,1-3H3,(H,21,24)
InChIKeyJUFFKXOWNXLVLW-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.25
Rot. Bonds8

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

N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 119407891) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID119407891
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1ccc(Cn2nc(C)c(CCC(=O)NCCCN)c2C)cc1
InChIInChI=1S/C19H28N4O/c1-14-5-7-17(8-6-14)13-23-16(3)18(15(2)22-23)9-10-19(24)21-12-4-11-20/h5-8H,4,9-13,20H2,1-3H3,(H,21,24)
InChIKeyJUFFKXOWNXLVLW-UHFFFAOYSA-N
XLogP2.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-(2-aminophenyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide;hydrochloride
CID 119422553
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 119599585
1-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 119125103
2-cyclopropyl-2-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoylamino]acetic acid
CID 119213968
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 36873203
N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19621093
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 86809135
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 19337840
2-[butan-2-yl-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoyl]amino]acetic acid
CID 119955113
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide
CID 24563594
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide (CID 119407891) is N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide is Cc1ccc(Cn2nc(C)c(CCC(=O)NCCCN)c2C)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is JUFFKXOWNXLVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-5-7-17(8-6-14)13-23-16(3)18(15(2)22-23)9-10-19(24)21-12-4-11-20/h5-8H,4,9-13,20H2,1-3H3,(H,21,24).
What are the key properties of N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?
N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 119407891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).