(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride

C14H19ClN4O — CID 119294768

IUPAC(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
SMILESCc1cc(C)n(-c2cccc(NC(=O)[C@H](C)N)c2)n1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-9-7-10(2)18(17-9)13-6-4-5-12(8-13)16-14(19)11(3)15;/h4-8,11H,15H2,1-3H3,(H,16,19);1H/t11-;/m0./s1
InChIKeyCJTFIKLWHVSHPZ-MERQFXBCSA-N
MW294.79 g/mol
LogP2.20
Rot. Bonds3

About (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride (PubChem CID 119294768) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
PubChem CID119294768
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
SMILESCc1cc(C)n(-c2cccc(NC(=O)[C@H](C)N)c2)n1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-9-7-10(2)18(17-9)13-6-4-5-12(8-13)16-14(19)11(3)15;/h4-8,11H,15H2,1-3H3,(H,16,19);1H/t11-;/m0./s1
InChIKeyCJTFIKLWHVSHPZ-MERQFXBCSA-N
XLogP2.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119733250
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 119294783
2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide
CID 56580511
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119733216
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide
CID 154860909
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86990195
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119294776
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 78891330

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride (CID 119294768) is (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride is Cc1cc(C)n(-c2cccc(NC(=O)[C@H](C)N)c2)n1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride?
The InChIKey is CJTFIKLWHVSHPZ-MERQFXBCSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-9-7-10(2)18(17-9)13-6-4-5-12(8-13)16-14(19)11(3)15;/h4-8,11H,15H2,1-3H3,(H,16,19);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119294768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).