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

C20H22FN5O — CID 70782941

IUPAC[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESCCn1ccnc1C1CCCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)C1
InChIInChI=1S/C20H22FN5O/c1-2-25-11-9-22-19(25)14-6-5-10-26(13-14)20(27)18-12-17(23-24-18)15-7-3-4-8-16(15)21/h3-4,7-9,11-12,14H,2,5-6,10,13H2,1H3,(H,23,24)
InChIKeyINHJPGCLWFGCFC-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.45
Rot. Bonds4

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

[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 70782941) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID70782941
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESCCn1ccnc1C1CCCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)C1
InChIInChI=1S/C20H22FN5O/c1-2-25-11-9-22-19(25)14-6-5-10-26(13-14)20(27)18-12-17(23-24-18)15-7-3-4-8-16(15)21/h3-4,7-9,11-12,14H,2,5-6,10,13H2,1H3,(H,23,24)
InChIKeyINHJPGCLWFGCFC-UHFFFAOYSA-N
XLogP3.45
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 74240394
[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 124974682
4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 72900256
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 97116494
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 154841705
(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 97133821
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 97145492
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70755834
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126440128
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 97141939

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 70782941) is [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone is CCn1ccnc1C1CCCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)C1.
What is the InChIKey of [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is INHJPGCLWFGCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-2-25-11-9-22-19(25)14-6-5-10-26(13-14)20(27)18-12-17(23-24-18)15-7-3-4-8-16(15)21/h3-4,7-9,11-12,14H,2,5-6,10,13H2,1H3,(H,23,24).
What are the key properties of [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone?
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 367.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 70782941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).