[1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone

C21H22N4O2 — CID 70765301

IUPAC[1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCCCC2c2ccccn2)cn1
InChIInChI=1S/C21H22N4O2/c1-27-20-11-3-2-10-19(20)25-15-16(14-23-25)21(26)24-13-7-5-9-18(24)17-8-4-6-12-22-17/h2-4,6,8,10-12,14-15,18H,5,7,9,13H2,1H3
InChIKeyBSMIIFFXXIGXML-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.64
Rot. Bonds4

About [1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone

[1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 70765301) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID70765301
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCCCC2c2ccccn2)cn1
InChIInChI=1S/C21H22N4O2/c1-27-20-11-3-2-10-19(20)25-15-16(14-23-25)21(26)24-13-7-5-9-18(24)17-8-4-6-12-22-17/h2-4,6,8,10-12,14-15,18H,5,7,9,13H2,1H3
InChIKeyBSMIIFFXXIGXML-UHFFFAOYSA-N
XLogP3.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97148857
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97119728
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 154568541
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70786049
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95868392
(4-methoxy-3-nitrophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616465
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97280069
1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70759267
4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 77093447
(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 56710407

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone (CID 70765301) is [1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone is COc1ccccc1-n1cc(C(=O)N2CCCCC2c2ccccn2)cn1.
What is the InChIKey of [1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is BSMIIFFXXIGXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-20-11-3-2-10-19(20)25-15-16(14-23-25)21(26)24-13-7-5-9-18(24)17-8-4-6-12-22-17/h2-4,6,8,10-12,14-15,18H,5,7,9,13H2,1H3.
What are the key properties of [1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone?
[1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 70765301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).