2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine

C14H18N4 — CID 110102053

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine
SMILESCc1cc(-c2ccc(CC3CCNC3)cn2)n[nH]1
InChIInChI=1S/C14H18N4/c1-10-6-14(18-17-10)13-3-2-11(9-16-13)7-12-4-5-15-8-12/h2-3,6,9,12,15H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyTWAWJJSTZOFCLN-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.93
Rot. Bonds3

About 2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine

2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine (PubChem CID 110102053) 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)-5-(pyrrolidin-3-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine
PubChem CID110102053
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine
SMILESCc1cc(-c2ccc(CC3CCNC3)cn2)n[nH]1
InChIInChI=1S/C14H18N4/c1-10-6-14(18-17-10)13-3-2-11(9-16-13)7-12-4-5-15-8-12/h2-3,6,9,12,15H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyTWAWJJSTZOFCLN-UHFFFAOYSA-N
XLogP1.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
CID 110102093
4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole
CID 125019372
3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole
CID 84784140
6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 132649098
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine
CID 124948496
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
2-methyl-6-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84795648
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine (CID 110102053) is 2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine is Cc1cc(-c2ccc(CC3CCNC3)cn2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine?
The InChIKey is TWAWJJSTZOFCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-6-14(18-17-10)13-3-2-11(9-16-13)7-12-4-5-15-8-12/h2-3,6,9,12,15H,4-5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine?
2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine has a molecular weight of 242.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine is sourced from PubChem (CID 110102053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).