1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole

C15H19N3 — CID 113441459

IUPAC1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole
SMILESCC1(Cc2ccc(-n3cccn3)cc2)CCCN1
InChIInChI=1S/C15H19N3/c1-15(8-2-9-16-15)12-13-4-6-14(7-5-13)18-11-3-10-17-18/h3-7,10-11,16H,2,8-9,12H2,1H3
InChIKeyXDDSKGJOQDXSPI-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.56
Rot. Bonds3

About 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole

1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole (PubChem CID 113441459) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole
PubChem CID113441459
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole
SMILESCC1(Cc2ccc(-n3cccn3)cc2)CCCN1
InChIInChI=1S/C15H19N3/c1-15(8-2-9-16-15)12-13-4-6-14(7-5-13)18-11-3-10-17-18/h3-7,10-11,16H,2,8-9,12H2,1H3
InChIKeyXDDSKGJOQDXSPI-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole?
The IUPAC name of 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole (CID 113441459) is 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole.
What is the SMILES notation for 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole?
The canonical SMILES for 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole is CC1(Cc2ccc(-n3cccn3)cc2)CCCN1.
What is the InChIKey of 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole?
The InChIKey is XDDSKGJOQDXSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(8-2-9-16-15)12-13-4-6-14(7-5-13)18-11-3-10-17-18/h3-7,10-11,16H,2,8-9,12H2,1H3.
What are the key properties of 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole?
1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole has a molecular weight of 241.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole is sourced from PubChem (CID 113441459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).