(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid

C12H15N5O2 — CID 122049461

IUPAC(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
SMILESCc1cc(C)n(-c2cncc(N[C@@H](C)C(=O)O)n2)n1
InChIInChI=1S/C12H15N5O2/c1-7-4-8(2)17(16-7)11-6-13-5-10(15-11)14-9(3)12(18)19/h4-6,9H,1-3H3,(H,14,15)(H,18,19)/t9-/m0/s1
InChIKeyWZSGWTRPMUBOFY-VIFPVBQESA-N
MW261.29 g/mol
LogP1.16
Rot. Bonds4

About (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid

(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid (PubChem CID 122049461) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
PubChem CID122049461
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
SMILESCc1cc(C)n(-c2cncc(N[C@@H](C)C(=O)O)n2)n1
InChIInChI=1S/C12H15N5O2/c1-7-4-8(2)17(16-7)11-6-13-5-10(15-11)14-9(3)12(18)19/h4-6,9H,1-3H3,(H,14,15)(H,18,19)/t9-/m0/s1
InChIKeyWZSGWTRPMUBOFY-VIFPVBQESA-N
XLogP1.16
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
CID 133386821
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazin-2-amine
CID 133273936
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine
CID 133283269
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazin-2-amine
CID 133346267
2-[(6-chloropyrazin-2-yl)amino]propanoic acid
CID 114335356
1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
CID 133305589
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 25230411
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
methyl 4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 133284189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid (CID 122049461) is (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid is Cc1cc(C)n(-c2cncc(N[C@@H](C)C(=O)O)n2)n1.
What is the InChIKey of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid?
The InChIKey is WZSGWTRPMUBOFY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-4-8(2)17(16-7)11-6-13-5-10(15-11)14-9(3)12(18)19/h4-6,9H,1-3H3,(H,14,15)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid?
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid has a molecular weight of 261.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid is sourced from PubChem (CID 122049461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).