1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole

C20H25N5 — CID 31258994

IUPAC1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole
SMILESCN1CCC[C@@H]1CCn1ccc(-c2cccc(-c3cnn(C)c3)c2)n1
InChIInChI=1S/C20H25N5/c1-23-10-4-7-19(23)8-11-25-12-9-20(22-25)17-6-3-5-16(13-17)18-14-21-24(2)15-18/h3,5-6,9,12-15,19H,4,7-8,10-11H2,1-2H3/t19-/m1/s1
InChIKeyVVUISSKUXKRDQG-LJQANCHMSA-N
MW335.46 g/mol
LogP3.43
Rot. Bonds5

About 1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole

1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole (PubChem CID 31258994) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole
PubChem CID31258994
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole
SMILESCN1CCC[C@@H]1CCn1ccc(-c2cccc(-c3cnn(C)c3)c2)n1
InChIInChI=1S/C20H25N5/c1-23-10-4-7-19(23)8-11-25-12-9-20(22-25)17-6-3-5-16(13-17)18-14-21-24(2)15-18/h3,5-6,9,12-15,19H,4,7-8,10-11H2,1-2H3/t19-/m1/s1
InChIKeyVVUISSKUXKRDQG-LJQANCHMSA-N
XLogP3.43
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole?
The IUPAC name of 1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole (CID 31258994) is 1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole?
The canonical SMILES for 1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole is CN1CCC[C@@H]1CCn1ccc(-c2cccc(-c3cnn(C)c3)c2)n1.
What is the InChIKey of 1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole?
The InChIKey is VVUISSKUXKRDQG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N5/c1-23-10-4-7-19(23)8-11-25-12-9-20(22-25)17-6-3-5-16(13-17)18-14-21-24(2)15-18/h3,5-6,9,12-15,19H,4,7-8,10-11H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole?
1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole has a molecular weight of 335.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole is sourced from PubChem (CID 31258994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).