(2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol

C13H17N3O — CID 141290935

IUPAC(2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol
SMILESCC[C@H](O)Cc1ccnn1-c1ccnc(C)c1
InChIInChI=1S/C13H17N3O/c1-3-13(17)9-12-5-7-15-16(12)11-4-6-14-10(2)8-11/h4-8,13,17H,3,9H2,1-2H3/t13-/m0/s1
InChIKeyNDGZTJWDUFZYOA-ZDUSSCGKSA-N
MW231.30 g/mol
LogP1.89
Rot. Bonds4

About (2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol

(2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol (PubChem CID 141290935) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol
PubChem CID141290935
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol
SMILESCC[C@H](O)Cc1ccnn1-c1ccnc(C)c1
InChIInChI=1S/C13H17N3O/c1-3-13(17)9-12-5-7-15-16(12)11-4-6-14-10(2)8-11/h4-8,13,17H,3,9H2,1-2H3/t13-/m0/s1
InChIKeyNDGZTJWDUFZYOA-ZDUSSCGKSA-N
XLogP1.89
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
4-ethyl-2-methylpyridine;propan-2-ol
CID 145226128
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 106756246
[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol
CID 51037755
4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-amine
CID 121416497
N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine
CID 107332076
1-(furan-3-yl)butan-2-ol
CID 83171486
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756242
[3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol
CID 72847821
4-(4-ethenylpyrazol-1-yl)-2-methylpyridine
CID 166905976
2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile
CID 51037544

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol?
The IUPAC name of (2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol (CID 141290935) is (2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol is CC[C@H](O)Cc1ccnn1-c1ccnc(C)c1.
What is the InChIKey of (2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol?
The InChIKey is NDGZTJWDUFZYOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-13(17)9-12-5-7-15-16(12)11-4-6-14-10(2)8-11/h4-8,13,17H,3,9H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol?
(2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol has a molecular weight of 231.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol is sourced from PubChem (CID 141290935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).