2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol

C21H24N4O — CID 166307073

IUPAC2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol
SMILESCc1nn(-c2ccncc2)cc1CN1CCC(Cc2ccccc2O)C1
InChIInChI=1S/C21H24N4O/c1-16-19(15-25(23-16)20-6-9-22-10-7-20)14-24-11-8-17(13-24)12-18-4-2-3-5-21(18)26/h2-7,9-10,15,17,26H,8,11-14H2,1H3
InChIKeyYNGLHPMSRYLXQW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.35
Rot. Bonds5

About 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol

2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol (PubChem CID 166307073) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol
PubChem CID166307073
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol
SMILESCc1nn(-c2ccncc2)cc1CN1CCC(Cc2ccccc2O)C1
InChIInChI=1S/C21H24N4O/c1-16-19(15-25(23-16)20-6-9-22-10-7-20)14-24-11-8-17(13-24)12-18-4-2-3-5-21(18)26/h2-7,9-10,15,17,26H,8,11-14H2,1H3
InChIKeyYNGLHPMSRYLXQW-UHFFFAOYSA-N
XLogP3.35
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol with MolForge

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Related Compounds

4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine
CID 77091492
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 115970486
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine
CID 70745905
4-fluoro-2-[[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]phenol
CID 136529782
5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 166336282
3-methyl-1-(4-methylphenyl)-4-[[3-(phenoxymethyl)azetidin-1-yl]methyl]pyrazole
CID 166398369
2-(cyclopropylmethyl)phenol
CID 23014132
1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 77082596
(3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 122192139

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol?
The IUPAC name of 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol (CID 166307073) is 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol.
What is the SMILES notation for 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol?
The canonical SMILES for 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol is Cc1nn(-c2ccncc2)cc1CN1CCC(Cc2ccccc2O)C1.
What is the InChIKey of 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol?
The InChIKey is YNGLHPMSRYLXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-19(15-25(23-16)20-6-9-22-10-7-20)14-24-11-8-17(13-24)12-18-4-2-3-5-21(18)26/h2-7,9-10,15,17,26H,8,11-14H2,1H3.
What are the key properties of 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol?
2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol has a molecular weight of 348.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol is sourced from PubChem (CID 166307073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).