N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride

C15H29Cl2N5O2 — CID 119668171

IUPACN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)CN(C)C(=O)C(C)n1cccn1.Cl.Cl
InChIInChI=1S/C15H27N5O2.2ClH/c1-4-5-7-13(10-16)18-14(21)11-19(3)15(22)12(2)20-9-6-8-17-20;;/h6,8-9,12-13H,4-5,7,10-11,16H2,1-3H3,(H,18,21);2*1H
InChIKeyAAPKKDXHZQLOGT-UHFFFAOYSA-N
MW382.34 g/mol
LogP1.38
Rot. Bonds9

About N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride

N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride (PubChem CID 119668171) has the molecular formula C15H29Cl2N5O2 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
PubChem CID119668171
Molecular FormulaC15H29Cl2N5O2
Molecular Weight382.34 g/mol
Exact Mass381.17
IUPAC NameN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)CN(C)C(=O)C(C)n1cccn1.Cl.Cl
InChIInChI=1S/C15H27N5O2.2ClH/c1-4-5-7-13(10-16)18-14(21)11-19(3)15(22)12(2)20-9-6-8-17-20;;/h6,8-9,12-13H,4-5,7,10-11,16H2,1-3H3,(H,18,21);2*1H
InChIKeyAAPKKDXHZQLOGT-UHFFFAOYSA-N
XLogP1.38
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride (CID 119668171) is N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride is CCCCC(CN)NC(=O)CN(C)C(=O)C(C)n1cccn1.Cl.Cl.
What is the InChIKey of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride?
The InChIKey is AAPKKDXHZQLOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2.2ClH/c1-4-5-7-13(10-16)18-14(21)11-19(3)15(22)12(2)20-9-6-8-17-20;;/h6,8-9,12-13H,4-5,7,10-11,16H2,1-3H3,(H,18,21);2*1H.
What are the key properties of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride?
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119668171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).