[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

C22H27N5O — CID 72897232

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1C1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1
InChIInChI=1S/C22H27N5O/c1-4-25-14-11-23-21(25)18-9-12-26(13-10-18)22(28)19-5-7-20(8-6-19)27-17(3)15-16(2)24-27/h5-8,11,14-15,18H,4,9-10,12-13H2,1-3H3
InChIKeyPIJXCVYAGHTKND-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.73
Rot. Bonds4

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 72897232) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID72897232
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1C1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1
InChIInChI=1S/C22H27N5O/c1-4-25-14-11-23-21(25)18-9-12-26(13-10-18)22(28)19-5-7-20(8-6-19)27-17(3)15-16(2)24-27/h5-8,11,14-15,18H,4,9-10,12-13H2,1-3H3
InChIKeyPIJXCVYAGHTKND-UHFFFAOYSA-N
XLogP3.73
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 72932090
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119376722
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120814562
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 154747574
(3,4-dimethylphenyl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72892381
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 119634488
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158560
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 72925619
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 74240394
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 99930369
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 30867814

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (CID 72897232) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is CCn1ccnc1C1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PIJXCVYAGHTKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-4-25-14-11-23-21(25)18-9-12-26(13-10-18)22(28)19-5-7-20(8-6-19)27-17(3)15-16(2)24-27/h5-8,11,14-15,18H,4,9-10,12-13H2,1-3H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 377.49 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72897232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).