N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride

C15H21ClN4O — CID 119581500

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)Cc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-12(9-16)18(2)15(20)8-13-10-17-19(11-13)14-6-4-3-5-7-14;/h3-7,10-12H,8-9,16H2,1-2H3;1H
InChIKeyGOTIIRJLLXPEQW-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.64
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride (PubChem CID 119581500) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
PubChem CID119581500
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)Cc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-12(9-16)18(2)15(20)8-13-10-17-19(11-13)14-6-4-3-5-7-14;/h3-7,10-12H,8-9,16H2,1-2H3;1H
InChIKeyGOTIIRJLLXPEQW-UHFFFAOYSA-N
XLogP1.64
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-phenylpyrazol-4-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51335766
N-(3-amino-4-methylpentyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119657817
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 120507987
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152365
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 51982797
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119583661
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 51075473

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride (CID 119581500) is N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride is CC(CN)N(C)C(=O)Cc1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride?
The InChIKey is GOTIIRJLLXPEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-12(9-16)18(2)15(20)8-13-10-17-19(11-13)14-6-4-3-5-7-14;/h3-7,10-12H,8-9,16H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119581500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).