(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

C18H25N5O — CID 56779764

IUPAC(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2cnn(C)c2C2CC2)C1
InChIInChI=1S/C18H25N5O/c1-3-16-19-8-10-23(16)14-5-4-9-22(12-14)18(24)15-11-20-21(2)17(15)13-6-7-13/h8,10-11,13-14H,3-7,9,12H2,1-2H3
InChIKeyUCLDNUMEVPMEEP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.53
Rot. Bonds4

About (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 56779764) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID56779764
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2cnn(C)c2C2CC2)C1
InChIInChI=1S/C18H25N5O/c1-3-16-19-8-10-23(16)14-5-4-9-22(12-14)18(24)15-11-20-21(2)17(15)13-6-7-13/h8,10-11,13-14H,3-7,9,12H2,1-2H3
InChIKeyUCLDNUMEVPMEEP-UHFFFAOYSA-N
XLogP2.53
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95606652
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95281794
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95341014
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 95606570
1-[(2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606561
1-[(2S)-2-[(3R)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606560
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779723
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (CID 56779764) is (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is CCc1nccn1C1CCCN(C(=O)c2cnn(C)c2C2CC2)C1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is UCLDNUMEVPMEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-16-19-8-10-23(16)14-5-4-9-22(12-14)18(24)15-11-20-21(2)17(15)13-6-7-13/h8,10-11,13-14H,3-7,9,12H2,1-2H3.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56779764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).