N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine

C18H29N5 — CID 91841195

IUPACN-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine
SMILESCc1cc(C)n(CCN(C)Cc2cncn2C2CCCCC2)n1
InChIInChI=1S/C18H29N5/c1-15-11-16(2)23(20-15)10-9-21(3)13-18-12-19-14-22(18)17-7-5-4-6-8-17/h11-12,14,17H,4-10,13H2,1-3H3
InChIKeyBUIJFDSJRMRQIC-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.33
Rot. Bonds6

About N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine

N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine (PubChem CID 91841195) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine
PubChem CID91841195
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC NameN-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine
SMILESCc1cc(C)n(CCN(C)Cc2cncn2C2CCCCC2)n1
InChIInChI=1S/C18H29N5/c1-15-11-16(2)23(20-15)10-9-21(3)13-18-12-19-14-22(18)17-7-5-4-6-8-17/h11-12,14,17H,4-10,13H2,1-3H3
InChIKeyBUIJFDSJRMRQIC-UHFFFAOYSA-N
XLogP3.33
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536380
(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 124849465
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878
(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124749899
2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
N-[(3-cyclopropylimidazol-4-yl)methyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 91830260
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45202568
(3R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 25377204
3-(3-cyclohexylimidazol-4-yl)propan-1-amine
CID 83883482
methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate
CID 66153110
methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 66153111

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine?
The IUPAC name of N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine (CID 91841195) is N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine.
What is the SMILES notation for N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine?
The canonical SMILES for N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine is Cc1cc(C)n(CCN(C)Cc2cncn2C2CCCCC2)n1.
What is the InChIKey of N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine?
The InChIKey is BUIJFDSJRMRQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-15-11-16(2)23(20-15)10-9-21(3)13-18-12-19-14-22(18)17-7-5-4-6-8-17/h11-12,14,17H,4-10,13H2,1-3H3.
What are the key properties of N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine?
N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine has a molecular weight of 315.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine is sourced from PubChem (CID 91841195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).