2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine

C14H18N4 — CID 95730792

IUPAC2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCn1cc(CN2CCC[C@@H]2c2ccccn2)cn1
InChIInChI=1S/C14H18N4/c1-17-10-12(9-16-17)11-18-8-4-6-14(18)13-5-2-3-7-15-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m1/s1
InChIKeyMWSODTMRJLYVLQ-CQSZACIVSA-N
MW242.33 g/mol
LogP2.15
Rot. Bonds3

About 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine

2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 95730792) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID95730792
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCn1cc(CN2CCC[C@@H]2c2ccccn2)cn1
InChIInChI=1S/C14H18N4/c1-17-10-12(9-16-17)11-18-8-4-6-14(18)13-5-2-3-7-15-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m1/s1
InChIKeyMWSODTMRJLYVLQ-CQSZACIVSA-N
XLogP2.15
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 99937922
2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99948448
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
N-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125003062
2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 110254681
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094
N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine
CID 110116680

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine (CID 95730792) is 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine is Cn1cc(CN2CCC[C@@H]2c2ccccn2)cn1.
What is the InChIKey of 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is MWSODTMRJLYVLQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N4/c1-17-10-12(9-16-17)11-18-8-4-6-14(18)13-5-2-3-7-15-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine?
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 242.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95730792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).