4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C19H21FN4O2 — CID 131936576

IUPAC4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)c1O
InChIInChI=1S/C19H21FN4O2/c1-13-19(26)18(15(12-25)8-21-13)11-23(2)9-14-7-22-24(10-14)17-5-3-16(20)4-6-17/h3-8,10,25-26H,9,11-12H2,1-2H3
InChIKeyCYVZDULTYAQKRG-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.54
Rot. Bonds6

About 4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 131936576) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID131936576
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)c1O
InChIInChI=1S/C19H21FN4O2/c1-13-19(26)18(15(12-25)8-21-13)11-23(2)9-14-7-22-24(10-14)17-5-3-16(20)4-6-17/h3-8,10,25-26H,9,11-12H2,1-2H3
InChIKeyCYVZDULTYAQKRG-UHFFFAOYSA-N
XLogP2.54
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 50965177
3-chloro-2-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]benzoic acid
CID 166333855
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 74243670
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 28955690
4-[[2-aminoethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 57132487
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
(2S)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-2-propoxypropanamide
CID 96577576
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 131936576) is 4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)c1O.
What is the InChIKey of 4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is CYVZDULTYAQKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-13-19(26)18(15(12-25)8-21-13)11-23(2)9-14-7-22-24(10-14)17-5-3-16(20)4-6-17/h3-8,10,25-26H,9,11-12H2,1-2H3.
What are the key properties of 4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 356.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 131936576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).