[5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol

C20H21BrN6O2 — CID 161264782

IUPAC[5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol
SMILESCn1cc(Br)c(-c2cncc(CO)c2)n1.Cn1ccc(-c2cncc(CO)c2)n1
InChIInChI=1S/C10H10BrN3O.C10H11N3O/c1-14-5-9(11)10(13-14)8-2-7(6-15)3-12-4-8;1-13-3-2-10(12-13)9-4-8(7-14)5-11-6-9/h2-5,15H,6H2,1H3;2-6,14H,7H2,1H3
InChIKeyVDALZGQABKUOEB-UHFFFAOYSA-N
MW457.33 g/mol
LogP2.71
Rot. Bonds4

About [5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol

[5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol (PubChem CID 161264782) has the molecular formula C20H21BrN6O2 and a molecular weight of 457.33 g/mol. Its IUPAC name is [5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol
PubChem CID161264782
Molecular FormulaC20H21BrN6O2
Molecular Weight457.33 g/mol
Exact Mass456.09
IUPAC Name[5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol
SMILESCn1cc(Br)c(-c2cncc(CO)c2)n1.Cn1ccc(-c2cncc(CO)c2)n1
InChIInChI=1S/C10H10BrN3O.C10H11N3O/c1-14-5-9(11)10(13-14)8-2-7(6-15)3-12-4-8;1-13-3-2-10(12-13)9-4-8(7-14)5-11-6-9/h2-5,15H,6H2,1H3;2-6,14H,7H2,1H3
InChIKeyVDALZGQABKUOEB-UHFFFAOYSA-N
XLogP2.71
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(1-Phenyl-3-pyridin-3-yl-1H-pyrazol-4-yl)-methanol
CID 740179
[3-[(4-Phenylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridin-6-yl]methanol
CID 44270494
[3-(4-Fluoro-phenyl)-2-(6-methyl-pyridin-2-yl)-pyrazolo[1,5-a]pyridin-6-yl]-methanol
CID 10359469
6-[[3-Fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
CID 126658915
1-[2,6-Bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol
CID 155263815
Tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride
CID 157172191
Tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride
CID 161316675
[2-[5-[(4-Bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol
CID 164718744
1-[2-[2-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol
CID 166559887
1-[2-[2-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]-3-pyridinyl]-5-fluorophenyl]ethanol
CID 166560036
[5-[[4-[[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol
CID 167019441
[2-[2-[(4-Bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol
CID 167387788

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol (CID 161264782) is [5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol is Cn1cc(Br)c(-c2cncc(CO)c2)n1.Cn1ccc(-c2cncc(CO)c2)n1.
What is the InChIKey of [5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol?
The InChIKey is VDALZGQABKUOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O.C10H11N3O/c1-14-5-9(11)10(13-14)8-2-7(6-15)3-12-4-8;1-13-3-2-10(12-13)9-4-8(7-14)5-11-6-9/h2-5,15H,6H2,1H3;2-6,14H,7H2,1H3.
What are the key properties of [5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol?
[5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol has a molecular weight of 457.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 161264782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).