[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone

C21H25N5O2 — CID 74236610

IUPAC[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
SMILESCCn1ccnc1C1CCN(C(=O)c2cn[nH]c2-c2cccc(OC)c2)CC1
InChIInChI=1S/C21H25N5O2/c1-3-25-12-9-22-20(25)15-7-10-26(11-8-15)21(27)18-14-23-24-19(18)16-5-4-6-17(13-16)28-2/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,23,24)
InChIKeyDOWDZDOLODHMEY-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.32
Rot. Bonds5

About [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone

[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 74236610) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
PubChem CID74236610
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
SMILESCCn1ccnc1C1CCN(C(=O)c2cn[nH]c2-c2cccc(OC)c2)CC1
InChIInChI=1S/C21H25N5O2/c1-3-25-12-9-22-20(25)15-7-10-26(11-8-15)21(27)18-14-23-24-19(18)16-5-4-6-17(13-16)28-2/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,23,24)
InChIKeyDOWDZDOLODHMEY-UHFFFAOYSA-N
XLogP3.32
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 97141939
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 74245032
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56872933
4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid
CID 56877528
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 70780400
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 97146603
1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 72932090
(3-fluoro-4-pyridinyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56748447
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone
CID 72935518
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56744449
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 95401254

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone (CID 74236610) is [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone is CCn1ccnc1C1CCN(C(=O)c2cn[nH]c2-c2cccc(OC)c2)CC1.
What is the InChIKey of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is DOWDZDOLODHMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-25-12-9-22-20(25)15-7-10-26(11-8-15)21(27)18-14-23-24-19(18)16-5-4-6-17(13-16)28-2/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,23,24).
What are the key properties of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone?
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 74236610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).