N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride

C11H21ClN4O — CID 120652004

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)Cc1cc(C)[nH]n1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-4-12-9(3)7-13-11(16)6-10-5-8(2)14-15-10;/h5,9,12H,4,6-7H2,1-3H3,(H,13,16)(H,14,15);1H/t9-;/m1./s1
InChIKeyUJDIFCXJPKDWJQ-SBSPUUFOSA-N
MW260.77 g/mol
LogP0.80
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride (PubChem CID 120652004) has the molecular formula C11H21ClN4O and a molecular weight of 260.77 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride
PubChem CID120652004
Molecular FormulaC11H21ClN4O
Molecular Weight260.77 g/mol
Exact Mass260.14
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)Cc1cc(C)[nH]n1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-4-12-9(3)7-13-11(16)6-10-5-8(2)14-15-10;/h5,9,12H,4,6-7H2,1-3H3,(H,13,16)(H,14,15);1H/t9-;/m1./s1
InChIKeyUJDIFCXJPKDWJQ-SBSPUUFOSA-N
XLogP0.80
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 120827526
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97222976
N-[(2R)-2-(ethylamino)propyl]-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 120652726
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120650056
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 119609111
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120654061
N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
CID 120652816
2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120654961
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120654528
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652869
2-(2,6-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653936
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97228090

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride (CID 120652004) is N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride is CCN[C@H](C)CNC(=O)Cc1cc(C)[nH]n1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride?
The InChIKey is UJDIFCXJPKDWJQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H20N4O.ClH/c1-4-12-9(3)7-13-11(16)6-10-5-8(2)14-15-10;/h5,9,12H,4,6-7H2,1-3H3,(H,13,16)(H,14,15);1H/t9-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120652004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).