2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine

C13H16N4 — CID 124956755

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine
SMILESCc1cc(-c2cc([C@@H]3CCCN3)ccn2)n[nH]1
InChIInChI=1S/C13H16N4/c1-9-7-13(17-16-9)12-8-10(4-6-15-12)11-3-2-5-14-11/h4,6-8,11,14H,2-3,5H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyFTXRIQFEULMSJH-NSHDSACASA-N
MW228.30 g/mol
LogP2.20
Rot. Bonds2

About 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine

2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine (PubChem CID 124956755) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine
PubChem CID124956755
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine
SMILESCc1cc(-c2cc([C@@H]3CCCN3)ccn2)n[nH]1
InChIInChI=1S/C13H16N4/c1-9-7-13(17-16-9)12-8-10(4-6-15-12)11-3-2-5-14-11/h4,6-8,11,14H,2-3,5H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyFTXRIQFEULMSJH-NSHDSACASA-N
XLogP2.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine
CID 95846428
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
2-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-2-ylpyridine
CID 110101884
2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride
CID 171687259
2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 124959185
1-[2-[2-(5-methyl-1H-pyrazol-3-yl)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110102001
3-methyl-N-(4-pyrrolidin-2-yl-2-pyridinyl)pyridin-2-amine
CID 110095928
1-methoxy-7-pyrrolidin-2-ylisoquinoline
CID 117329098
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
2-methyl-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 170920850
N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine
CID 70943104
6-piperidin-2-ylquinoxaline
CID 171487792

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine (CID 124956755) is 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine is Cc1cc(-c2cc([C@@H]3CCCN3)ccn2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine?
The InChIKey is FTXRIQFEULMSJH-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4/c1-9-7-13(17-16-9)12-8-10(4-6-15-12)11-3-2-5-14-11/h4,6-8,11,14H,2-3,5H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine?
2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine has a molecular weight of 228.30 g/mol, XLogP of 2.20, 2 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)-4-[(2S)-pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 124956755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).