4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine

C20H22N4 — CID 166236703

IUPAC4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine
SMILESCc1ccncc1C1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C20H22N4/c1-15-7-9-21-12-19(15)17-8-10-24(13-17)14-18-11-20(23-22-18)16-5-3-2-4-6-16/h2-7,9,11-12,17H,8,10,13-14H2,1H3,(H,22,23)
InChIKeyKDZHHTPUNUVTRA-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.77
Rot. Bonds4

About 4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine

4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine (PubChem CID 166236703) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine
PubChem CID166236703
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine
SMILESCc1ccncc1C1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C20H22N4/c1-15-7-9-21-12-19(15)17-8-10-24(13-17)14-18-11-20(23-22-18)16-5-3-2-4-6-16/h2-7,9,11-12,17H,8,10,13-14H2,1H3,(H,22,23)
InChIKeyKDZHHTPUNUVTRA-UHFFFAOYSA-N
XLogP3.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine?
The IUPAC name of 4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine (CID 166236703) is 4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine?
The canonical SMILES for 4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine is Cc1ccncc1C1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of 4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine?
The InChIKey is KDZHHTPUNUVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-7-9-21-12-19(15)17-8-10-24(13-17)14-18-11-20(23-22-18)16-5-3-2-4-6-16/h2-7,9,11-12,17H,8,10,13-14H2,1H3,(H,22,23).
What are the key properties of 4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine?
4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine has a molecular weight of 318.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 166236703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).