(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride

C14H19ClN4O2 — CID 119302651

IUPAC(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
SMILESCOc1ccc(-n2ccc(CNC(=O)[C@@H](C)N)n2)cc1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-10(15)14(19)16-9-11-7-8-18(17-11)12-3-5-13(20-2)6-4-12;/h3-8,10H,9,15H2,1-2H3,(H,16,19);1H/t10-;/m1./s1
InChIKeyWEYRDELRRZFPDY-HNCPQSOCSA-N
MW310.79 g/mol
LogP1.27
Rot. Bonds5

About (2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride

(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride (PubChem CID 119302651) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
PubChem CID119302651
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
SMILESCOc1ccc(-n2ccc(CNC(=O)[C@@H](C)N)n2)cc1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-10(15)14(19)16-9-11-7-8-18(17-11)12-3-5-13(20-2)6-4-12;/h3-8,10H,9,15H2,1-2H3,(H,16,19);1H/t10-;/m1./s1
InChIKeyWEYRDELRRZFPDY-HNCPQSOCSA-N
XLogP1.27
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
CID 120987280
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide
CID 119747670
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
CID 119302653
1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea
CID 94656869
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
CID 119336468
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
CID 136578868
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide
CID 60574874
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide
CID 119302636
(2R)-2-methoxy-2-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]acetamide
CID 100680507
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227214
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride (CID 119302651) is (2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride is COc1ccc(-n2ccc(CNC(=O)[C@@H](C)N)n2)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride?
The InChIKey is WEYRDELRRZFPDY-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-10(15)14(19)16-9-11-7-8-18(17-11)12-3-5-13(20-2)6-4-12;/h3-8,10H,9,15H2,1-2H3,(H,16,19);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119302651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).