4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine

C20H21N3O3 — CID 11175564

IUPAC4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine
SMILESCOc1ccc(-c2ccn(Cc3ccncc3)n2)cc1O[C@H]1CCCO1
InChIInChI=1S/C20H21N3O3/c1-24-18-5-4-16(13-19(18)26-20-3-2-12-25-20)17-8-11-23(22-17)14-15-6-9-21-10-7-15/h4-11,13,20H,2-3,12,14H2,1H3/t20-/m0/s1
InChIKeyNPXPKBPLEWWKLO-FQEVSTJZSA-N
MW351.41 g/mol
LogP3.52
Rot. Bonds6

About 4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine

4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine (PubChem CID 11175564) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine
PubChem CID11175564
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine
SMILESCOc1ccc(-c2ccn(Cc3ccncc3)n2)cc1O[C@H]1CCCO1
InChIInChI=1S/C20H21N3O3/c1-24-18-5-4-16(13-19(18)26-20-3-2-12-25-20)17-8-11-23(22-17)14-15-6-9-21-10-7-15/h4-11,13,20H,2-3,12,14H2,1H3/t20-/m0/s1
InChIKeyNPXPKBPLEWWKLO-FQEVSTJZSA-N
XLogP3.52
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]aniline
CID 11257068
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]ethanone
CID 11362524
1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole
CID 11314519
2-[3-[4-(difluoromethoxy)-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]acetic acid
CID 11279659
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]acetic acid
CID 21106837
ethyl 1-benzyl-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole-3-carboxylate
CID 21106863
2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine
CID 11773572
1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole
CID 21106724
N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide
CID 91546462
1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole
CID 11269373
ethyl 2-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 11395869
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide
CID 21106798

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine?
The IUPAC name of 4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine (CID 11175564) is 4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine is COc1ccc(-c2ccn(Cc3ccncc3)n2)cc1O[C@H]1CCCO1.
What is the InChIKey of 4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine?
The InChIKey is NPXPKBPLEWWKLO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-24-18-5-4-16(13-19(18)26-20-3-2-12-25-20)17-8-11-23(22-17)14-15-6-9-21-10-7-15/h4-11,13,20H,2-3,12,14H2,1H3/t20-/m0/s1.
What are the key properties of 4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine?
4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine has a molecular weight of 351.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 11175564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).