[3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol

C12H15FN4O — CID 105382972

IUPAC[3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
SMILESCN(Cc1cnn(C)c1)c1nccc(CO)c1F
InChIInChI=1S/C12H15FN4O/c1-16(6-9-5-15-17(2)7-9)12-11(13)10(8-18)3-4-14-12/h3-5,7,18H,6,8H2,1-2H3
InChIKeyWRXPDFKWAUYNSO-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.08
Rot. Bonds4

About [3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol

[3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol (PubChem CID 105382972) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is [3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
PubChem CID105382972
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name[3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
SMILESCN(Cc1cnn(C)c1)c1nccc(CO)c1F
InChIInChI=1S/C12H15FN4O/c1-16(6-9-5-15-17(2)7-9)12-11(13)10(8-18)3-4-14-12/h3-5,7,18H,6,8H2,1-2H3
InChIKeyWRXPDFKWAUYNSO-UHFFFAOYSA-N
XLogP1.08
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389581
[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 61442010
[3-fluoro-2-[methyl(propan-2-yl)amino]-4-pyridinyl]methanol
CID 105382880
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
CID 61442220
[3-fluoro-2-[methyl(2-phenylethyl)amino]-4-pyridinyl]methanol
CID 105383104
[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-fluoro-4-pyridinyl]methanol
CID 105416170
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 31921413
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
[6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-pyridinyl]methanol
CID 62254806
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine
CID 83060444
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
CID 80513561

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol?
The IUPAC name of [3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol (CID 105382972) is [3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol is CN(Cc1cnn(C)c1)c1nccc(CO)c1F.
What is the InChIKey of [3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol?
The InChIKey is WRXPDFKWAUYNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-16(6-9-5-15-17(2)7-9)12-11(13)10(8-18)3-4-14-12/h3-5,7,18H,6,8H2,1-2H3.
What are the key properties of [3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol?
[3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol has a molecular weight of 250.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol is sourced from PubChem (CID 105382972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).