3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide

C25H34N6O — CID 98132846

IUPAC3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide
SMILESCCc1nccn1CCC(=O)NCC1CCC(c2nn(C)cc2-c2ccncc2C)CC1
InChIInChI=1S/C25H34N6O/c1-4-23-27-12-14-31(23)13-10-24(32)28-16-19-5-7-20(8-6-19)25-22(17-30(3)29-25)21-9-11-26-15-18(21)2/h9,11-12,14-15,17,19-20H,4-8,10,13,16H2,1-3H3,(H,28,32)
InChIKeyOAKIZKLKKYSTJD-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.03
Rot. Bonds8

About 3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide

3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide (PubChem CID 98132846) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide
PubChem CID98132846
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide
SMILESCCc1nccn1CCC(=O)NCC1CCC(c2nn(C)cc2-c2ccncc2C)CC1
InChIInChI=1S/C25H34N6O/c1-4-23-27-12-14-31(23)13-10-24(32)28-16-19-5-7-20(8-6-19)25-22(17-30(3)29-25)21-9-11-26-15-18(21)2/h9,11-12,14-15,17,19-20H,4-8,10,13,16H2,1-3H3,(H,28,32)
InChIKeyOAKIZKLKKYSTJD-UHFFFAOYSA-N
XLogP4.03
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[3-(2-ethylimidazol-1-yl)propanoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 131924590
3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide
CID 131932994
N-[[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 131892617
(4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid
CID 87489677
N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 131921194
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131896789
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CID 125161054
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98133554
3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 131926060
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131937873
[4-(ethoxymethyl)phenyl]-[2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide (CID 98132846) is 3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide is CCc1nccn1CCC(=O)NCC1CCC(c2nn(C)cc2-c2ccncc2C)CC1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide?
The InChIKey is OAKIZKLKKYSTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-4-23-27-12-14-31(23)13-10-24(32)28-16-19-5-7-20(8-6-19)25-22(17-30(3)29-25)21-9-11-26-15-18(21)2/h9,11-12,14-15,17,19-20H,4-8,10,13,16H2,1-3H3,(H,28,32).
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide?
3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide has a molecular weight of 434.59 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide is sourced from PubChem (CID 98132846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).