[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C20H31N5O — CID 72891686

IUPAC[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCCn1ccnc1C1CCN(C(=O)c2cc(CC(C)C)nn2CC)CC1
InChIInChI=1S/C20H31N5O/c1-5-23-12-9-21-19(23)16-7-10-24(11-8-16)20(26)18-14-17(13-15(3)4)22-25(18)6-2/h9,12,14-16H,5-8,10-11,13H2,1-4H3
InChIKeyQDCMHPJLUDCDBN-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.34
Rot. Bonds6

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

[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 72891686) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID72891686
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCCn1ccnc1C1CCN(C(=O)c2cc(CC(C)C)nn2CC)CC1
InChIInChI=1S/C20H31N5O/c1-5-23-12-9-21-19(23)16-7-10-24(11-8-16)20(26)18-14-17(13-15(3)4)22-25(18)6-2/h9,12,14-16H,5-8,10-11,13H2,1-4H3
InChIKeyQDCMHPJLUDCDBN-UHFFFAOYSA-N
XLogP3.34
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 72891686) is [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is CCn1ccnc1C1CCN(C(=O)c2cc(CC(C)C)nn2CC)CC1.
What is the InChIKey of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is QDCMHPJLUDCDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-5-23-12-9-21-19(23)16-7-10-24(11-8-16)20(26)18-14-17(13-15(3)4)22-25(18)6-2/h9,12,14-16H,5-8,10-11,13H2,1-4H3.
What are the key properties of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 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]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 72891686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).