2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid

C11H16ClN3O2 — CID 63919128

IUPAC2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid
SMILESCc1nn(CC(N)(C(=O)O)C2CC2)c(C)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-6-9(12)7(2)15(14-6)5-11(13,10(16)17)8-3-4-8/h8H,3-5,13H2,1-2H3,(H,16,17)
InChIKeyBRZNJEVLNDZAMP-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid

2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid (PubChem CID 63919128) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid
PubChem CID63919128
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid
SMILESCc1nn(CC(N)(C(=O)O)C2CC2)c(C)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-6-9(12)7(2)15(14-6)5-11(13,10(16)17)8-3-4-8/h8H,3-5,13H2,1-2H3,(H,16,17)
InChIKeyBRZNJEVLNDZAMP-UHFFFAOYSA-N
XLogP1.35
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide
CID 63918932
2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide
CID 63920704
(2S)-2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-cyclopropylpropanoic acid
CID 124698958
2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide
CID 63919904
methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate
CID 63919117
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide
CID 62128361
2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide
CID 63918935
1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol
CID 64820768
2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66371178
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide
CID 62130053
3-[(2R)-1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]propanoic acid
CID 124698919
2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid
CID 63909663

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid (CID 63919128) is 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid is Cc1nn(CC(N)(C(=O)O)C2CC2)c(C)c1Cl.
What is the InChIKey of 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid?
The InChIKey is BRZNJEVLNDZAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-6-9(12)7(2)15(14-6)5-11(13,10(16)17)8-3-4-8/h8H,3-5,13H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid?
2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid has a molecular weight of 257.72 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 63919128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).