(2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride

C15H21ClN4O — CID 154901670

IUPAC(2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride
SMILESCN[C@@H](C)C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-11(16-2)15(20)19(3)10-13-9-14(18-17-13)12-7-5-4-6-8-12;/h4-9,11,16H,10H2,1-3H3,(H,17,18);1H/t11-;/m0./s1
InChIKeyOQOLDVIHNZGBGI-MERQFXBCSA-N
MW308.81 g/mol
LogP2.06
Rot. Bonds5

About (2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride

(2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride (PubChem CID 154901670) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is (2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride
PubChem CID154901670
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name(2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride
SMILESCN[C@@H](C)C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-11(16-2)15(20)19(3)10-13-9-14(18-17-13)12-7-5-4-6-8-12;/h4-9,11,16H,10H2,1-3H3,(H,17,18);1H/t11-;/m0./s1
InChIKeyOQOLDVIHNZGBGI-MERQFXBCSA-N
XLogP2.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 126430865
N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide
CID 50957301
3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea
CID 122560770
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide
CID 90651231
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 46996473
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 55424539
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131893148
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154886914
N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55814944
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
CID 91829637

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride (CID 154901670) is (2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride is CN[C@@H](C)C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1.Cl.
What is the InChIKey of (2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride?
The InChIKey is OQOLDVIHNZGBGI-MERQFXBCSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-11(16-2)15(20)19(3)10-13-9-14(18-17-13)12-7-5-4-6-8-12;/h4-9,11,16H,10H2,1-3H3,(H,17,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride?
(2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 154901670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).