2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine

C14H18N4 — CID 110101996

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine
SMILESCc1cc(-c2cc(C3CCCN3C)ccn2)n[nH]1
InChIInChI=1S/C14H18N4/c1-10-8-13(17-16-10)12-9-11(5-6-15-12)14-4-3-7-18(14)2/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyMQBCWYOSHAQBEM-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.55
Rot. Bonds2

About 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine

2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine (PubChem CID 110101996) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine
PubChem CID110101996
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine
SMILESCc1cc(-c2cc(C3CCCN3C)ccn2)n[nH]1
InChIInChI=1S/C14H18N4/c1-10-8-13(17-16-10)12-9-11(5-6-15-12)14-4-3-7-18(14)2/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyMQBCWYOSHAQBEM-UHFFFAOYSA-N
XLogP2.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine (CID 110101996) is 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine is Cc1cc(-c2cc(C3CCCN3C)ccn2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine?
The InChIKey is MQBCWYOSHAQBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-8-13(17-16-10)12-9-11(5-6-15-12)14-4-3-7-18(14)2/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine?
2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine has a molecular weight of 242.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 110101996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).