[3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C22H30N4O — CID 126425029

IUPAC[3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCn1cc(-c2cccc(C(=O)N3CCCC[C@@H]3CN3CCCC3)c2)cn1
InChIInChI=1S/C22H30N4O/c1-2-25-16-20(15-23-25)18-8-7-9-19(14-18)22(27)26-13-4-3-10-21(26)17-24-11-5-6-12-24/h7-9,14-16,21H,2-6,10-13,17H2,1H3/t21-/m1/s1
InChIKeyRGDNTAWEJCTFCA-OAQYLSRUSA-N
MW366.51 g/mol
LogP3.66
Rot. Bonds5

About [3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

[3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 126425029) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID126425029
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCn1cc(-c2cccc(C(=O)N3CCCC[C@@H]3CN3CCCC3)c2)cn1
InChIInChI=1S/C22H30N4O/c1-2-25-16-20(15-23-25)18-8-7-9-19(14-18)22(27)26-13-4-3-10-21(26)17-24-11-5-6-12-24/h7-9,14-16,21H,2-6,10-13,17H2,1H3/t21-/m1/s1
InChIKeyRGDNTAWEJCTFCA-OAQYLSRUSA-N
XLogP3.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(6-amino-2-methyl-3-pyridinyl)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 126431094
(3-aminophenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119865869
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 95603844
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95352253
[3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 118764619
[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 121495554
1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712
1-[3-[2-(azepan-1-ylmethyl)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
CID 46957873
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
2-[(2S)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidin-2-yl]acetic acid
CID 126437661
[4-[4-(4-chlorophenyl)pyrazol-1-yl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11690629
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide
CID 169414310

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 126425029) is [3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is CCn1cc(-c2cccc(C(=O)N3CCCC[C@@H]3CN3CCCC3)c2)cn1.
What is the InChIKey of [3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RGDNTAWEJCTFCA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N4O/c1-2-25-16-20(15-23-25)18-8-7-9-19(14-18)22(27)26-13-4-3-10-21(26)17-24-11-5-6-12-24/h7-9,14-16,21H,2-6,10-13,17H2,1H3/t21-/m1/s1.
What are the key properties of [3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
[3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethylpyrazol-4-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126425029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).