N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

C12H21N5O2 — CID 119408371

IUPACN-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)CC(=O)NCCCN)n1cccn1
InChIInChI=1S/C12H21N5O2/c1-10(17-8-4-7-15-17)12(19)16(2)9-11(18)14-6-3-5-13/h4,7-8,10H,3,5-6,9,13H2,1-2H3,(H,14,18)
InChIKeyWAOWPVRDVGKHKR-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.63
Rot. Bonds7

About N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 119408371) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID119408371
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)CC(=O)NCCCN)n1cccn1
InChIInChI=1S/C12H21N5O2/c1-10(17-8-4-7-15-17)12(19)16(2)9-11(18)14-6-3-5-13/h4,7-8,10H,3,5-6,9,13H2,1-2H3,(H,14,18)
InChIKeyWAOWPVRDVGKHKR-UHFFFAOYSA-N
XLogP-0.63
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 119408371) is N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is CC(C(=O)N(C)CC(=O)NCCCN)n1cccn1.
What is the InChIKey of N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is WAOWPVRDVGKHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-10(17-8-4-7-15-17)12(19)16(2)9-11(18)14-6-3-5-13/h4,7-8,10H,3,5-6,9,13H2,1-2H3,(H,14,18).
What are the key properties of N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 267.33 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 119408371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).