(1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C16H24FN3O2 — CID 128988276

IUPAC(1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2C[C@@H](F)C[C@H]2CO)cnn1C1CCCCC1
InChIInChI=1S/C16H24FN3O2/c1-11-15(8-18-20(11)13-5-3-2-4-6-13)16(22)19-9-12(17)7-14(19)10-21/h8,12-14,21H,2-7,9-10H2,1H3/t12-,14-/m0/s1
InChIKeyIWCVTFWQUCXZOA-JSGCOSHPSA-N
MW309.38 g/mol
LogP2.24
Rot. Bonds3

About (1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 128988276) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is (1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID128988276
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name(1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2C[C@@H](F)C[C@H]2CO)cnn1C1CCCCC1
InChIInChI=1S/C16H24FN3O2/c1-11-15(8-18-20(11)13-5-3-2-4-6-13)16(22)19-9-12(17)7-14(19)10-21/h8,12-14,21H,2-7,9-10H2,1H3/t12-,14-/m0/s1
InChIKeyIWCVTFWQUCXZOA-JSGCOSHPSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
CID 146107759
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 128988349
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 128988217
(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone
CID 167946154
(1-cyclopentyl-5-methylpyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949755
1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
CID 126786160
N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
CID 126776876
[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
CID 166343622
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 128988399
(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 167924718
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 128988276) is (1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2C[C@@H](F)C[C@H]2CO)cnn1C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IWCVTFWQUCXZOA-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-11-15(8-18-20(11)13-5-3-2-4-6-13)16(22)19-9-12(17)7-14(19)10-21/h8,12-14,21H,2-7,9-10H2,1H3/t12-,14-/m0/s1.
What are the key properties of (1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 309.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128988276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).