4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine

C21H22N6 — CID 86037477

IUPAC4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine
SMILESCc1nn(Cn2nc(C)c(-c3ccncc3)c2C)c(C)c1-c1ccncc1
InChIInChI=1S/C21H22N6/c1-14-20(18-5-9-22-10-6-18)16(3)26(24-14)13-27-17(4)21(15(2)25-27)19-7-11-23-12-8-19/h5-12H,13H2,1-4H3
InChIKeyUHCFGIMEEBIRJF-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.94
Rot. Bonds4

About 4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine

4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine (PubChem CID 86037477) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine
PubChem CID86037477
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine
SMILESCc1nn(Cn2nc(C)c(-c3ccncc3)c2C)c(C)c1-c1ccncc1
InChIInChI=1S/C21H22N6/c1-14-20(18-5-9-22-10-6-18)16(3)26(24-14)13-27-17(4)21(15(2)25-27)19-7-11-23-12-8-19/h5-12H,13H2,1-4H3
InChIKeyUHCFGIMEEBIRJF-UHFFFAOYSA-N
XLogP3.94
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine?
The IUPAC name of 4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine (CID 86037477) is 4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine?
The canonical SMILES for 4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine is Cc1nn(Cn2nc(C)c(-c3ccncc3)c2C)c(C)c1-c1ccncc1.
What is the InChIKey of 4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine?
The InChIKey is UHCFGIMEEBIRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-14-20(18-5-9-22-10-6-18)16(3)26(24-14)13-27-17(4)21(15(2)25-27)19-7-11-23-12-8-19/h5-12H,13H2,1-4H3.
What are the key properties of 4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine?
4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine has a molecular weight of 358.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine is sourced from PubChem (CID 86037477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).