(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol

C17H18N4O — CID 28734619

IUPAC(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol
SMILESCC[C@@H](O)Cn1ccc(-c2cccc(-c3cncnc3)c2)n1
InChIInChI=1S/C17H18N4O/c1-2-16(22)11-21-7-6-17(20-21)14-5-3-4-13(8-14)15-9-18-12-19-10-15/h3-10,12,16,22H,2,11H2,1H3/t16-/m1/s1
InChIKeyIYWWJZRVVXFWJH-MRXNPFEDSA-N
MW294.36 g/mol
LogP2.78
Rot. Bonds5

About (2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol

(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol (PubChem CID 28734619) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is (2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol
PubChem CID28734619
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol
SMILESCC[C@@H](O)Cn1ccc(-c2cccc(-c3cncnc3)c2)n1
InChIInChI=1S/C17H18N4O/c1-2-16(22)11-21-7-6-17(20-21)14-5-3-4-13(8-14)15-9-18-12-19-10-15/h3-10,12,16,22H,2,11H2,1H3/t16-/m1/s1
InChIKeyIYWWJZRVVXFWJH-MRXNPFEDSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[1-(2-ethylsulfanylethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 56853431
(2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol
CID 28738019
N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
CID 28784014
5-[3-[1-(4,4,4-trifluorobutyl)pyrazol-3-yl]phenyl]pyrimidine
CID 29258824
5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 28871478
N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide
CID 45177485
(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol
CID 29257356
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
1-[5-[3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone
CID 29211216
1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
CID 141127298
3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol
CID 29068891
[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium
CID 144959097

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol (CID 28734619) is (2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol is CC[C@@H](O)Cn1ccc(-c2cccc(-c3cncnc3)c2)n1.
What is the InChIKey of (2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol?
The InChIKey is IYWWJZRVVXFWJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-16(22)11-21-7-6-17(20-21)14-5-3-4-13(8-14)15-9-18-12-19-10-15/h3-10,12,16,22H,2,11H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol?
(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol has a molecular weight of 294.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 28734619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).