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

C12H17N5O — CID 133428096

IUPAC(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
SMILESCc1cc(C)n(-c2cncc(N[C@@H](C)CO)n2)n1
InChIInChI=1S/C12H17N5O/c1-8-4-10(3)17(16-8)12-6-13-5-11(15-12)14-9(2)7-18/h4-6,9,18H,7H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeySCINSHXFGVSTCP-VIFPVBQESA-N
MW247.30 g/mol
LogP1.07
Rot. Bonds4

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

(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol (PubChem CID 133428096) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
PubChem CID133428096
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
SMILESCc1cc(C)n(-c2cncc(N[C@@H](C)CO)n2)n1
InChIInChI=1S/C12H17N5O/c1-8-4-10(3)17(16-8)12-6-13-5-11(15-12)14-9(2)7-18/h4-6,9,18H,7H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeySCINSHXFGVSTCP-VIFPVBQESA-N
XLogP1.07
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol with MolForge

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Related Compounds

(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
CID 133386821
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazin-2-amine
CID 133346267
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-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazin-2-amine
CID 133273936
1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
CID 133305589
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 25230411
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazin-2-amine
CID 133366343
N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide
CID 133284003
N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71885724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol (CID 133428096) is (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol is Cc1cc(C)n(-c2cncc(N[C@@H](C)CO)n2)n1.
What is the InChIKey of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol?
The InChIKey is SCINSHXFGVSTCP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-4-10(3)17(16-8)12-6-13-5-11(15-12)14-9(2)7-18/h4-6,9,18H,7H2,1-3H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol?
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.07, 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]propan-1-ol is sourced from PubChem (CID 133428096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).