[2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

C16H18FN3O2 — CID 75439869

IUPAC[2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCc1c(C2CCCN2C(=O)c2cc(F)ccc2O)cnn1C
InChIInChI=1S/C16H18FN3O2/c1-10-13(9-18-19(10)2)14-4-3-7-20(14)16(22)12-8-11(17)5-6-15(12)21/h5-6,8-9,14,21H,3-4,7H2,1-2H3
InChIKeyKRTHOYXVMAKUTN-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.55
Rot. Bonds2

About [2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

[2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 75439869) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is [2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID75439869
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name[2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCc1c(C2CCCN2C(=O)c2cc(F)ccc2O)cnn1C
InChIInChI=1S/C16H18FN3O2/c1-10-13(9-18-19(10)2)14-4-3-7-20(14)16(22)12-8-11(17)5-6-15(12)21/h5-6,8-9,14,21H,3-4,7H2,1-2H3
InChIKeyKRTHOYXVMAKUTN-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (CID 75439869) is [2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is Cc1c(C2CCCN2C(=O)c2cc(F)ccc2O)cnn1C.
What is the InChIKey of [2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is KRTHOYXVMAKUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-13(9-18-19(10)2)14-4-3-7-20(14)16(22)12-8-11(17)5-6-15(12)21/h5-6,8-9,14,21H,3-4,7H2,1-2H3.
What are the key properties of [2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
[2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 303.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 75439869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).