2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide

C15H20N4O — CID 62102852

IUPAC2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide
SMILESCCCN(Cc1ccccc1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C15H20N4O/c1-2-9-18(11-13-6-4-3-5-7-13)15(20)12-19-10-8-14(16)17-19/h3-8,10H,2,9,11-12H2,1H3,(H2,16,17)
InChIKeyZDOKGQSBNLRQHL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.90
Rot. Bonds6

About 2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide

2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide (PubChem CID 62102852) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide
PubChem CID62102852
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide
SMILESCCCN(Cc1ccccc1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C15H20N4O/c1-2-9-18(11-13-6-4-3-5-7-13)15(20)12-19-10-8-14(16)17-19/h3-8,10H,2,9,11-12H2,1H3,(H2,16,17)
InChIKeyZDOKGQSBNLRQHL-UHFFFAOYSA-N
XLogP1.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide
CID 62113064
2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide
CID 55035543
2-(3-aminopyrazol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62102871
N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 134028338
1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
CID 63310545
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 62101394
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
2-anilino-N-benzyl-N-propylacetamide;hydrochloride
CID 119681623

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide (CID 62102852) is 2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide is CCCN(Cc1ccccc1)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide?
The InChIKey is ZDOKGQSBNLRQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-9-18(11-13-6-4-3-5-7-13)15(20)12-19-10-8-14(16)17-19/h3-8,10H,2,9,11-12H2,1H3,(H2,16,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide?
2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide has a molecular weight of 272.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide is sourced from PubChem (CID 62102852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).