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

C15H21ClN4O — CID 119340285

IUPAC(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)[C@H](C)N)n1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-10-8-11(2)19(18-10)14-7-5-4-6-13(14)9-17-15(20)12(3)16;/h4-8,12H,9,16H2,1-3H3,(H,17,20);1H/t12-;/m0./s1
InChIKeyWCPNVPAEUIUTPK-YDALLXLXSA-N
MW308.81 g/mol
LogP1.87
Rot. Bonds4

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

(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119340285) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
PubChem CID119340285
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)[C@H](C)N)n1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-10-8-11(2)19(18-10)14-7-5-4-6-13(14)9-17-15(20)12(3)16;/h4-8,12H,9,16H2,1-3H3,(H,17,20);1H/t12-;/m0./s1
InChIKeyWCPNVPAEUIUTPK-YDALLXLXSA-N
XLogP1.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
CID 119812835
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide
CID 167792453
2-chloro-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-fluoroacetamide;2,2,2-trifluoroacetic acid
CID 166427563
2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119812822
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119812807
1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
CID 75381169
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 171676342
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119812811
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812800
3-[[[N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 109451671

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride (CID 119340285) is (2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride is Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H](C)N)n1.Cl.
What is the InChIKey of (2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is WCPNVPAEUIUTPK-YDALLXLXSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-10-8-11(2)19(18-10)14-7-5-4-6-13(14)9-17-15(20)12(3)16;/h4-8,12H,9,16H2,1-3H3,(H,17,20);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119340285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).