4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole

C22H25N3O — CID 45209601

IUPAC4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole
SMILESCOCC1CCN(Cc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H25N3O/c1-26-16-17-11-12-25(14-17)15-21-13-23-24-22(21)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,13,17H,11-12,14-16H2,1H3,(H,23,24)
InChIKeyXNSOIFLKRNEHPJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.21
Rot. Bonds6

About 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole

4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole (PubChem CID 45209601) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole
PubChem CID45209601
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole
SMILESCOCC1CCN(Cc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H25N3O/c1-26-16-17-11-12-25(14-17)15-21-13-23-24-22(21)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,13,17H,11-12,14-16H2,1H3,(H,23,24)
InChIKeyXNSOIFLKRNEHPJ-UHFFFAOYSA-N
XLogP4.21
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95193385
1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
CID 126783125
(3S,4S)-4-(4-fluorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-ol
CID 50984812
[4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 72926146
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
2,6-dimethoxy-9-[(5-phenyl-1H-pyrazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonane
CID 167902055
1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
CID 99945758
(3R,4R)-4-(azepan-1-yl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-ol
CID 45241751
(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274104
2-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
CID 141195146
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 94140110
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole?
The IUPAC name of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole (CID 45209601) is 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole?
The canonical SMILES for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole is COCC1CCN(Cc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole?
The InChIKey is XNSOIFLKRNEHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-26-16-17-11-12-25(14-17)15-21-13-23-24-22(21)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,13,17H,11-12,14-16H2,1H3,(H,23,24).
What are the key properties of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole?
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole has a molecular weight of 347.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole is sourced from PubChem (CID 45209601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).