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

C15H29ClN4O — CID 119497602

IUPACN-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCCC(C)N.Cl
InChIInChI=1S/C15H28N4O.ClH/c1-10(2)9-19-13(5)14(12(4)18-19)8-15(20)17-7-6-11(3)16;/h10-11H,6-9,16H2,1-5H3,(H,17,20);1H
InChIKeyXOWREHIJAVFPRO-UHFFFAOYSA-N
MW316.88 g/mol
LogP1.97
Rot. Bonds7

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

N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride (PubChem CID 119497602) has the molecular formula C15H29ClN4O and a molecular weight of 316.88 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
PubChem CID119497602
Molecular FormulaC15H29ClN4O
Molecular Weight316.88 g/mol
Exact Mass316.20
IUPAC NameN-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCCC(C)N.Cl
InChIInChI=1S/C15H28N4O.ClH/c1-10(2)9-19-13(5)14(12(4)18-19)8-15(20)17-7-6-11(3)16;/h10-11H,6-9,16H2,1-5H3,(H,17,20);1H
InChIKeyXOWREHIJAVFPRO-UHFFFAOYSA-N
XLogP1.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38449351
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 134061320
N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
CID 119667078
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445392
N-[2-(2,4-dichlorophenyl)ethyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9082946
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536142
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464025
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetamide
CID 40895953
N-[2-(diethylamino)-2-phenylethyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 46446709
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 54957515

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride (CID 119497602) is N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride is Cc1nn(CC(C)C)c(C)c1CC(=O)NCCC(C)N.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride?
The InChIKey is XOWREHIJAVFPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O.ClH/c1-10(2)9-19-13(5)14(12(4)18-19)8-15(20)17-7-6-11(3)16;/h10-11H,6-9,16H2,1-5H3,(H,17,20);1H.
What are the key properties of N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride?
N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride has a molecular weight of 316.88 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 119497602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).