(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone

C10H13ClFN3O2 — CID 131917337

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
SMILESCc1c(Cl)c(C(=O)N2C[C@@H](O)[C@H](F)C2)nn1C
InChIInChI=1S/C10H13ClFN3O2/c1-5-8(11)9(13-14(5)2)10(17)15-3-6(12)7(16)4-15/h6-7,16H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKeyUNTQXMBGYQNNHL-RNFRBKRXSA-N
MW261.68 g/mol
LogP0.54
Rot. Bonds1

About (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone

(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 131917337) has the molecular formula C10H13ClFN3O2 and a molecular weight of 261.68 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID131917337
Molecular FormulaC10H13ClFN3O2
Molecular Weight261.68 g/mol
Exact Mass261.07
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
SMILESCc1c(Cl)c(C(=O)N2C[C@@H](O)[C@H](F)C2)nn1C
InChIInChI=1S/C10H13ClFN3O2/c1-5-8(11)9(13-14(5)2)10(17)15-3-6(12)7(16)4-15/h6-7,16H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKeyUNTQXMBGYQNNHL-RNFRBKRXSA-N
XLogP0.54
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone (CID 131917337) is (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone is Cc1c(Cl)c(C(=O)N2C[C@@H](O)[C@H](F)C2)nn1C.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is UNTQXMBGYQNNHL-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H13ClFN3O2/c1-5-8(11)9(13-14(5)2)10(17)15-3-6(12)7(16)4-15/h6-7,16H,3-4H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 261.68 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 131917337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).