4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine

C18H16N6 — CID 102166192

IUPAC4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine
SMILESc1cc(-c2ccn(CCn3ccc(-c4ccncc4)n3)n2)ccn1
InChIInChI=1S/C18H16N6/c1-7-19-8-2-15(1)17-5-11-23(21-17)13-14-24-12-6-18(22-24)16-3-9-20-10-4-16/h1-12H,13-14H2
InChIKeyTWDMNVMGUAKGTN-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.90
Rot. Bonds5

About 4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine

4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine (PubChem CID 102166192) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine
PubChem CID102166192
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine
SMILESc1cc(-c2ccn(CCn3ccc(-c4ccncc4)n3)n2)ccn1
InChIInChI=1S/C18H16N6/c1-7-19-8-2-15(1)17-5-11-23(21-17)13-14-24-12-6-18(22-24)16-3-9-20-10-4-16/h1-12H,13-14H2
InChIKeyTWDMNVMGUAKGTN-UHFFFAOYSA-N
XLogP2.90
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

GW-6604
CID 9861063
3-(Cyanomethyl)-3-(4-(6-(1-methylpyrazol-4-yl)pyrazolo(1,5-a)pyrazin-4-yl)pyrazol-1-yl)cyclobutane-1-carbonitrile
CID 130339268
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Dihydropyrrolopyrazole, 7d
CID 9946092
3-(3-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile
CID 10192768
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine (CID 102166192) is 4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine is c1cc(-c2ccn(CCn3ccc(-c4ccncc4)n3)n2)ccn1.
What is the InChIKey of 4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine?
The InChIKey is TWDMNVMGUAKGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-7-19-8-2-15(1)17-5-11-23(21-17)13-14-24-12-6-18(22-24)16-3-9-20-10-4-16/h1-12H,13-14H2.
What are the key properties of 4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine?
4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine has a molecular weight of 316.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 102166192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).