4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole

C18H19F2N5 — CID 175200240

IUPAC4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole
SMILESCn1cc(Cn2nccc2N2CCCC2c2cc(F)ccc2F)cn1
InChIInChI=1S/C18H19F2N5/c1-23-11-13(10-22-23)12-25-18(6-7-21-25)24-8-2-3-17(24)15-9-14(19)4-5-16(15)20/h4-7,9-11,17H,2-3,8,12H2,1H3
InChIKeyIZCAVOJEYWTGOW-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.28
Rot. Bonds4

About 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole

4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole (PubChem CID 175200240) has the molecular formula C18H19F2N5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole
PubChem CID175200240
Molecular FormulaC18H19F2N5
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC Name4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole
SMILESCn1cc(Cn2nccc2N2CCCC2c2cc(F)ccc2F)cn1
InChIInChI=1S/C18H19F2N5/c1-23-11-13(10-22-23)12-25-18(6-7-21-25)24-8-2-3-17(24)15-9-14(19)4-5-16(15)20/h4-7,9-11,17H,2-3,8,12H2,1H3
InChIKeyIZCAVOJEYWTGOW-UHFFFAOYSA-N
XLogP3.28
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole?
The IUPAC name of 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole (CID 175200240) is 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole?
The canonical SMILES for 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole is Cn1cc(Cn2nccc2N2CCCC2c2cc(F)ccc2F)cn1.
What is the InChIKey of 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole?
The InChIKey is IZCAVOJEYWTGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5/c1-23-11-13(10-22-23)12-25-18(6-7-21-25)24-8-2-3-17(24)15-9-14(19)4-5-16(15)20/h4-7,9-11,17H,2-3,8,12H2,1H3.
What are the key properties of 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole?
4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole has a molecular weight of 343.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 175200240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).