5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

C13H21N3 — CID 25207304

IUPAC5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C13H21N3/c1-3-4-6-11-9-14-15-13(11)12-7-5-8-16(2)10-12/h7,9H,3-6,8,10H2,1-2H3,(H,14,15)
InChIKeyJMIOZWQTZLAVLN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.47
Rot. Bonds4

About 5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 25207304) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID25207304
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C13H21N3/c1-3-4-6-11-9-14-15-13(11)12-7-5-8-16(2)10-12/h7,9H,3-6,8,10H2,1-2H3,(H,14,15)
InChIKeyJMIOZWQTZLAVLN-UHFFFAOYSA-N
XLogP2.47
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 25207304) is 5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCCCc1cn[nH]c1C1=CCCN(C)C1.
What is the InChIKey of 5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is JMIOZWQTZLAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-4-6-11-9-14-15-13(11)12-7-5-8-16(2)10-12/h7,9H,3-6,8,10H2,1-2H3,(H,14,15).
What are the key properties of 5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 219.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 25207304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).