N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride

C20H25ClN4OS — CID 119689520

IUPACN,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1.Cl
InChIInChI=1S/C20H24N4OS.ClH/c1-15(12-21-2)20(25)23(3)13-16-14-24(17-8-5-4-6-9-17)22-19(16)18-10-7-11-26-18;/h4-11,14-15,21H,12-13H2,1-3H3;1H
InChIKeyCHEXGTFCDDMPNC-UHFFFAOYSA-N
MW404.97 g/mol
LogP3.84
Rot. Bonds7

About N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride

N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride (PubChem CID 119689520) has the molecular formula C20H25ClN4OS and a molecular weight of 404.97 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride
PubChem CID119689520
Molecular FormulaC20H25ClN4OS
Molecular Weight404.97 g/mol
Exact Mass404.14
IUPAC NameN,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1.Cl
InChIInChI=1S/C20H24N4OS.ClH/c1-15(12-21-2)20(25)23(3)13-16-14-24(17-8-5-4-6-9-17)22-19(16)18-10-7-11-26-18;/h4-11,14-15,21H,12-13H2,1-3H3;1H
InChIKeyCHEXGTFCDDMPNC-UHFFFAOYSA-N
XLogP3.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.97
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride with MolForge

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Related Compounds

N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 39948564
N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119694776
N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112844915
3-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111436843
7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
CID 112844916
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048588
1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol
CID 167756896
4-[benzyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]amino]-4-oxobutanoate
CID 2121570
N,2-dimethyl-3-(methylamino)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119807079
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
3-cyano-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17468663

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride?
The IUPAC name of N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride (CID 119689520) is N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride is CNCC(C)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1.Cl.
What is the InChIKey of N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride?
The InChIKey is CHEXGTFCDDMPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS.ClH/c1-15(12-21-2)20(25)23(3)13-16-14-24(17-8-5-4-6-9-17)22-19(16)18-10-7-11-26-18;/h4-11,14-15,21H,12-13H2,1-3H3;1H.
What are the key properties of N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride?
N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride has a molecular weight of 404.97 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119689520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).