N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride

C17H33ClN4O — CID 119667078

IUPACN-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)Cc1c(C)nn(CC(C)C)c1C.Cl
InChIInChI=1S/C17H32N4O.ClH/c1-6-7-8-15(10-18)19-17(22)9-16-13(4)20-21(14(16)5)11-12(2)3;/h12,15H,6-11,18H2,1-5H3,(H,19,22);1H
InChIKeyCWBPCHWYLKJOLH-UHFFFAOYSA-N
MW344.93 g/mol
LogP2.75
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride (PubChem CID 119667078) has the molecular formula C17H33ClN4O and a molecular weight of 344.93 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
PubChem CID119667078
Molecular FormulaC17H33ClN4O
Molecular Weight344.93 g/mol
Exact Mass344.23
IUPAC NameN-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)Cc1c(C)nn(CC(C)C)c1C.Cl
InChIInChI=1S/C17H32N4O.ClH/c1-6-7-8-15(10-18)19-17(22)9-16-13(4)20-21(14(16)5)11-12(2)3;/h12,15H,6-11,18H2,1-5H3,(H,19,22);1H
InChIKeyCWBPCHWYLKJOLH-UHFFFAOYSA-N
XLogP2.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.93
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
CID 119497602
(2S,3S)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119193935
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride
CID 119665033
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetamide
CID 40895953
N-(2-amino-1-naphthalen-2-ylethyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 120567731
N-[1-(aminomethyl)cyclopentyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119566924
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 119367917
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 31039499
2-(4-propoxyphenoxy)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 55425490
[(2S)-1-amino-1-oxopropan-2-yl] 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 27935541
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38449351

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride (CID 119667078) is N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride is CCCCC(CN)NC(=O)Cc1c(C)nn(CC(C)C)c1C.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride?
The InChIKey is CWBPCHWYLKJOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O.ClH/c1-6-7-8-15(10-18)19-17(22)9-16-13(4)20-21(14(16)5)11-12(2)3;/h12,15H,6-11,18H2,1-5H3,(H,19,22);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 119667078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).