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

C14H18N4 — CID 45189094

IUPAC2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCc1[nH]ncc1CN1CCCC1c1ccccn1
InChIInChI=1S/C14H18N4/c1-11-12(9-16-17-11)10-18-8-4-6-14(18)13-5-2-3-7-15-13/h2-3,5,7,9,14H,4,6,8,10H2,1H3,(H,16,17)
InChIKeyQPOYPHZVTUMAPC-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.45
Rot. Bonds3

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

2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 45189094) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID45189094
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCc1[nH]ncc1CN1CCCC1c1ccccn1
InChIInChI=1S/C14H18N4/c1-11-12(9-16-17-11)10-18-8-4-6-14(18)13-5-2-3-7-15-13/h2-3,5,7,9,14H,4,6,8,10H2,1H3,(H,16,17)
InChIKeyQPOYPHZVTUMAPC-UHFFFAOYSA-N
XLogP2.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95550862
2-methyl-6-[(2R)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 125016121
2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 42193708
5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 95119708
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 99937922
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128973852
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine (CID 45189094) is 2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine is Cc1[nH]ncc1CN1CCCC1c1ccccn1.
What is the InChIKey of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is QPOYPHZVTUMAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-12(9-16-17-11)10-18-8-4-6-14(18)13-5-2-3-7-15-13/h2-3,5,7,9,14H,4,6,8,10H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 242.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 45189094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).