(5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone

C20H21FN4O2 — CID 164719157

IUPAC(5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone
SMILESC[C@@H](O)c1cc(F)ccc1-n1nccc1C(=O)c1cc(C2CCC2)n(C)n1
InChIInChI=1S/C20H21FN4O2/c1-12(26)15-10-14(21)6-7-17(15)25-18(8-9-22-25)20(27)16-11-19(24(2)23-16)13-4-3-5-13/h6-13,26H,3-5H2,1-2H3/t12-/m1/s1
InChIKeyBRGIQKUJVYINFE-GFCCVEGCSA-N
MW368.41 g/mol
LogP3.30
Rot. Bonds5

About (5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone

(5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone (PubChem CID 164719157) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is (5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone
PubChem CID164719157
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name(5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone
SMILESC[C@@H](O)c1cc(F)ccc1-n1nccc1C(=O)c1cc(C2CCC2)n(C)n1
InChIInChI=1S/C20H21FN4O2/c1-12(26)15-10-14(21)6-7-17(15)25-18(8-9-22-25)20(27)16-11-19(24(2)23-16)13-4-3-5-13/h6-13,26H,3-5H2,1-2H3/t12-/m1/s1
InChIKeyBRGIQKUJVYINFE-GFCCVEGCSA-N
XLogP3.30
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid
CID 123178100
6-Fluoro-1-[(5-propyloxolan-3-yl)methyl]indazole-3-carboxylic acid
CID 123684623
(E)-1-[4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-5-methyl-2-pyridinyl]-3-[(1R,2S)-2-hydroxycyclopentyl]prop-2-en-1-one
CID 129045077
(Z)-1-[3-(3,4-difluorophenyl)-1-[3-(hydroxymethyl)phenyl]pyrazol-5-yl]pent-2-ene-1,4-dione
CID 141462220
(1R)-1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
CID 164718661
[2-[5-[[1-(Cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol
CID 164718876
[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone
CID 164718938
(5-Bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone
CID 164718954
(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
CID 164718983
1-[2-[5-[[1-(Cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol
CID 164718996
(1-Ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone
CID 164719011
[3-Chloro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone
CID 164719051

Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone?
The IUPAC name of (5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone (CID 164719157) is (5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone.
What is the SMILES notation for (5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone?
The canonical SMILES for (5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone is C[C@@H](O)c1cc(F)ccc1-n1nccc1C(=O)c1cc(C2CCC2)n(C)n1.
What is the InChIKey of (5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone?
The InChIKey is BRGIQKUJVYINFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12(26)15-10-14(21)6-7-17(15)25-18(8-9-22-25)20(27)16-11-19(24(2)23-16)13-4-3-5-13/h6-13,26H,3-5H2,1-2H3/t12-/m1/s1.
What are the key properties of (5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone?
(5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone has a molecular weight of 368.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyl-1-methylpyrazol-3-yl)-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]pyrazol-3-yl]methanone is sourced from PubChem (CID 164719157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).