2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol

C14H13N3O — CID 39733479

IUPAC2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1[C@@H]1CC(c2cccnc2)=NN1
InChIInChI=1S/C14H13N3O/c18-14-6-2-1-5-11(14)13-8-12(16-17-13)10-4-3-7-15-9-10/h1-7,9,13,17-18H,8H2/t13-/m0/s1
InChIKeyGVHYUVUYNFYSNR-ZDUSSCGKSA-N
MW239.28 g/mol
LogP2.23
Rot. Bonds2

About 2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol

2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol (PubChem CID 39733479) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol
PubChem CID39733479
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1[C@@H]1CC(c2cccnc2)=NN1
InChIInChI=1S/C14H13N3O/c18-14-6-2-1-5-11(14)13-8-12(16-17-13)10-4-3-7-15-9-10/h1-7,9,13,17-18H,8H2/t13-/m0/s1
InChIKeyGVHYUVUYNFYSNR-ZDUSSCGKSA-N
XLogP2.23
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,6R)-2-(4-chlorophenyl)-4-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 96563862
2-(3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl)phenol;2-[5-pyridin-3-yl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydropyrazol-3-yl]phenol;5-pyridin-2-ylthiophene-2-sulfonyl chloride
CID 161059010
1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 2975411
2-[(2S,6R)-4-(4-methylphenyl)-2-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94794218
4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3811786
4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 43826645
2-[2-(4-benzylphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol
CID 68706665
4-[(3S)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 96563642
2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol
CID 2936913
4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 945002
2-[2-(2-benzylphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol
CID 68706945
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol (CID 39733479) is 2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol is Oc1ccccc1[C@@H]1CC(c2cccnc2)=NN1.
What is the InChIKey of 2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The InChIKey is GVHYUVUYNFYSNR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14-6-2-1-5-11(14)13-8-12(16-17-13)10-4-3-7-15-9-10/h1-7,9,13,17-18H,8H2/t13-/m0/s1.
What are the key properties of 2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol?
2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol has a molecular weight of 239.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 39733479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).