1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine

C20H25N5O — CID 77083372

IUPAC1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCCC(c3nccn3C)C2)cc1
InChIInChI=1S/C20H25N5O/c1-24-11-9-21-20(24)16-4-3-10-25(13-16)14-17-12-22-23-19(17)15-5-7-18(26-2)8-6-15/h5-9,11-12,16H,3-4,10,13-14H2,1-2H3,(H,22,23)
InChIKeyNWXOJXXIBHPMQG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.20
Rot. Bonds5

About 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine

1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine (PubChem CID 77083372) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
PubChem CID77083372
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCCC(c3nccn3C)C2)cc1
InChIInChI=1S/C20H25N5O/c1-24-11-9-21-20(24)16-4-3-10-25(13-16)14-17-12-22-23-19(17)15-5-7-18(26-2)8-6-15/h5-9,11-12,16H,3-4,10,13-14H2,1-2H3,(H,22,23)
InChIKeyNWXOJXXIBHPMQG-UHFFFAOYSA-N
XLogP3.20
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77088238
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
CID 42514353
(3R,4R)-4-(azepan-1-yl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-ol
CID 45241751
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
2-[(2S)-1-cyclopentyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28810241
5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 96577271
1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine
CID 146044844
1,3-benzodioxol-5-yl-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanone
CID 45187766
4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine
CID 25286681
(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 96575360
4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99943600

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine?
The IUPAC name of 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine (CID 77083372) is 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine?
The canonical SMILES for 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine is COc1ccc(-c2[nH]ncc2CN2CCCC(c3nccn3C)C2)cc1.
What is the InChIKey of 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine?
The InChIKey is NWXOJXXIBHPMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-24-11-9-21-20(24)16-4-3-10-25(13-16)14-17-12-22-23-19(17)15-5-7-18(26-2)8-6-15/h5-9,11-12,16H,3-4,10,13-14H2,1-2H3,(H,22,23).
What are the key properties of 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine?
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine has a molecular weight of 351.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 77083372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).