2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol

C20H29N5O — CID 50981118

IUPAC2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(C2=CCN(Cc3cncn3C3CCCCC3)CC2)cn1
InChIInChI=1S/C20H29N5O/c26-11-10-24-14-18(12-22-24)17-6-8-23(9-7-17)15-20-13-21-16-25(20)19-4-2-1-3-5-19/h6,12-14,16,19,26H,1-5,7-11,15H2
InChIKeyZIUPQKUUUJONDK-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol

2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 50981118) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol
PubChem CID50981118
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(C2=CCN(Cc3cncn3C3CCCCC3)CC2)cn1
InChIInChI=1S/C20H29N5O/c26-11-10-24-14-18(12-22-24)17-6-8-23(9-7-17)15-20-13-21-16-25(20)19-4-2-1-3-5-19/h6,12-14,16,19,26H,1-5,7-11,15H2
InChIKeyZIUPQKUUUJONDK-UHFFFAOYSA-N
XLogP2.87
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine
CID 56700573
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol
CID 82691745
(3S)-1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95445373
1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole
CID 66152919
1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 91840279
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878
1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride
CID 154903114
1-[(3-cyclopropylimidazol-4-yl)methyl]azepane-2-carboxylic acid
CID 66141272
(3R,4S)-3-benzyl-1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-4-ol
CID 134702520
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]azepan-2-yl]propan-2-one
CID 79559770
2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol (CID 50981118) is 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol is OCCn1cc(C2=CCN(Cc3cncn3C3CCCCC3)CC2)cn1.
What is the InChIKey of 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is ZIUPQKUUUJONDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c26-11-10-24-14-18(12-22-24)17-6-8-23(9-7-17)15-20-13-21-16-25(20)19-4-2-1-3-5-19/h6,12-14,16,19,26H,1-5,7-11,15H2.
What are the key properties of 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol?
2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 355.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 50981118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).