(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid

C7H9ClN2O2 — CID 7026044

IUPAC(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
SMILESCc1c(Cl)cnn1[C@@H](C)C(=O)O
InChIInChI=1S/C7H9ClN2O2/c1-4-6(8)3-9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyGTNFPPNAZPLJKR-YFKPBYRVSA-N
MW188.61 g/mol
LogP1.49
Rot. Bonds2

About (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid

(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid (PubChem CID 7026044) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
PubChem CID7026044
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
SMILESCc1c(Cl)cnn1[C@@H](C)C(=O)O
InChIInChI=1S/C7H9ClN2O2/c1-4-6(8)3-9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyGTNFPPNAZPLJKR-YFKPBYRVSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 25248320
2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19533698
2-(4-chloro-5-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19533617
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19533585
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533587
2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4769387
3-(4-chloro-5-methylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 165490319
(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 107427809
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19533679
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine
CID 42576142
2-(6-ethyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)propanoic acid
CID 53212620
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536414

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid (CID 7026044) is (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid is Cc1c(Cl)cnn1[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid?
The InChIKey is GTNFPPNAZPLJKR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4-6(8)3-9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid?
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid has a molecular weight of 188.61 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 7026044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).