(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid

C9H14ClN3O2 — CID 106702822

IUPAC(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
SMILESCCc1nn(C)c(C[C@@H](N)C(=O)O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-3-6-8(10)7(13(2)12-6)4-5(11)9(14)15/h5H,3-4,11H2,1-2H3,(H,14,15)/t5-/m1/s1
InChIKeyLWYVSPSNNJMRGB-RXMQYKEDSA-N
MW231.68 g/mol
LogP0.59
Rot. Bonds4

About (2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid

(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid (PubChem CID 106702822) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
PubChem CID106702822
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
SMILESCCc1nn(C)c(C[C@@H](N)C(=O)O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-3-6-8(10)7(13(2)12-6)4-5(11)9(14)15/h5H,3-4,11H2,1-2H3,(H,14,15)/t5-/m1/s1
InChIKeyLWYVSPSNNJMRGB-RXMQYKEDSA-N
XLogP0.59
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702766
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093475
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-2-one
CID 116606780
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)hex-5-en-2-one
CID 116607102
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104998501
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]butanoic acid
CID 105355535
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)propanoic acid
CID 79431571
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603768
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215619
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927949
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104998503

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid (CID 106702822) is (2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid is CCc1nn(C)c(C[C@@H](N)C(=O)O)c1Cl.
What is the InChIKey of (2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The InChIKey is LWYVSPSNNJMRGB-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-3-6-8(10)7(13(2)12-6)4-5(11)9(14)15/h5H,3-4,11H2,1-2H3,(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid has a molecular weight of 231.68 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid is sourced from PubChem (CID 106702822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).