3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol

C14H24BrN3O — CID 106132006

IUPAC3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCn1nc(C)c(Br)c1CNCC1CCCC(O)C1
InChIInChI=1S/C14H24BrN3O/c1-3-18-13(14(15)10(2)17-18)9-16-8-11-5-4-6-12(19)7-11/h11-12,16,19H,3-9H2,1-2H3
InChIKeyQMSDADRSYHFPLA-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.61
Rot. Bonds5

About 3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol

3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106132006) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106132006
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCn1nc(C)c(Br)c1CNCC1CCCC(O)C1
InChIInChI=1S/C14H24BrN3O/c1-3-18-13(14(15)10(2)17-18)9-16-8-11-5-4-6-12(19)7-11/h11-12,16,19H,3-9H2,1-2H3
InChIKeyQMSDADRSYHFPLA-UHFFFAOYSA-N
XLogP2.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 80584498
3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 66007024
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412567
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine
CID 83228285
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106123181
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 114097857
4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole
CID 66322233
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
CID 81028702
1-(3-aminocyclohexyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116568812
5-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pentan-1-amine
CID 107320488
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293848
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexyl-N-methylpropan-2-amine
CID 104998031

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol (CID 106132006) is 3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol is CCn1nc(C)c(Br)c1CNCC1CCCC(O)C1.
What is the InChIKey of 3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is QMSDADRSYHFPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-3-18-13(14(15)10(2)17-18)9-16-8-11-5-4-6-12(19)7-11/h11-12,16,19H,3-9H2,1-2H3.
What are the key properties of 3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 330.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).