4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole

C10H15ClFN3 — CID 106640391

IUPAC4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole
SMILESCCn1ncc(Cl)c1C(F)C1CCCN1
InChIInChI=1S/C10H15ClFN3/c1-2-15-10(7(11)6-14-15)9(12)8-4-3-5-13-8/h6,8-9,13H,2-5H2,1H3
InChIKeyFMOHVNZJXYMVCV-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.32
Rot. Bonds3

About 4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole

4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole (PubChem CID 106640391) has the molecular formula C10H15ClFN3 and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole
PubChem CID106640391
Molecular FormulaC10H15ClFN3
Molecular Weight231.70 g/mol
Exact Mass231.09
IUPAC Name4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole
SMILESCCn1ncc(Cl)c1C(F)C1CCCN1
InChIInChI=1S/C10H15ClFN3/c1-2-15-10(7(11)6-14-15)9(12)8-4-3-5-13-8/h6,8-9,13H,2-5H2,1H3
InChIKeyFMOHVNZJXYMVCV-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole?
The IUPAC name of 4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole (CID 106640391) is 4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole.
What is the SMILES notation for 4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole?
The canonical SMILES for 4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole is CCn1ncc(Cl)c1C(F)C1CCCN1.
What is the InChIKey of 4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole?
The InChIKey is FMOHVNZJXYMVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3/c1-2-15-10(7(11)6-14-15)9(12)8-4-3-5-13-8/h6,8-9,13H,2-5H2,1H3.
What are the key properties of 4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole?
4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole has a molecular weight of 231.70 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-[fluoro(pyrrolidin-2-yl)methyl]pyrazole is sourced from PubChem (CID 106640391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).