N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide

C16H22N4O — CID 120649709

IUPACN-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)N(CCCN)Cc2ccccc2)cn1
InChIInChI=1S/C16H22N4O/c1-19-12-15(11-18-19)10-16(21)20(9-5-8-17)13-14-6-3-2-4-7-14/h2-4,6-7,11-12H,5,8-10,13,17H2,1H3
InChIKeyZROPETXBAYPLKS-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.34
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide

N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 120649709) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID120649709
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)N(CCCN)Cc2ccccc2)cn1
InChIInChI=1S/C16H22N4O/c1-19-12-15(11-18-19)10-16(21)20(9-5-8-17)13-14-6-3-2-4-7-14/h2-4,6-7,11-12H,5,8-10,13,17H2,1H3
InChIKeyZROPETXBAYPLKS-UHFFFAOYSA-N
XLogP1.34
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide
CID 167894254
N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 120648333
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 120648461
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide (CID 120649709) is N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(CC(=O)N(CCCN)Cc2ccccc2)cn1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is ZROPETXBAYPLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-12-15(11-18-19)10-16(21)20(9-5-8-17)13-14-6-3-2-4-7-14/h2-4,6-7,11-12H,5,8-10,13,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide?
N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 120649709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).