4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole

C11H17ClFN3 — CID 112564267

IUPAC4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole
SMILESCCn1nc(C)c(Cl)c1CC1(F)CCNC1
InChIInChI=1S/C11H17ClFN3/c1-3-16-9(10(12)8(2)15-16)6-11(13)4-5-14-7-11/h14H,3-7H2,1-2H3
InChIKeyWNUXIODUMBMJDA-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.11
Rot. Bonds3

About 4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole

4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole (PubChem CID 112564267) has the molecular formula C11H17ClFN3 and a molecular weight of 245.73 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole
PubChem CID112564267
Molecular FormulaC11H17ClFN3
Molecular Weight245.73 g/mol
Exact Mass245.11
IUPAC Name4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole
SMILESCCn1nc(C)c(Cl)c1CC1(F)CCNC1
InChIInChI=1S/C11H17ClFN3/c1-3-16-9(10(12)8(2)15-16)6-11(13)4-5-14-7-11/h14H,3-7H2,1-2H3
InChIKeyWNUXIODUMBMJDA-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.11
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-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole?
The IUPAC name of 4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole (CID 112564267) is 4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole.
What is the SMILES notation for 4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole?
The canonical SMILES for 4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole is CCn1nc(C)c(Cl)c1CC1(F)CCNC1.
What is the InChIKey of 4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole?
The InChIKey is WNUXIODUMBMJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3/c1-3-16-9(10(12)8(2)15-16)6-11(13)4-5-14-7-11/h14H,3-7H2,1-2H3.
What are the key properties of 4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole?
4-chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole has a molecular weight of 245.73 g/mol, XLogP of 2.11, 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-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole is sourced from PubChem (CID 112564267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).