N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine

C17H31N3O — CID 114667230

IUPACN-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine
SMILESCOc1cnn(C(C)C)c1C1CCCCC1CNC(C)C
InChIInChI=1S/C17H31N3O/c1-12(2)18-10-14-8-6-7-9-15(14)17-16(21-5)11-19-20(17)13(3)4/h11-15,18H,6-10H2,1-5H3
InChIKeyJIUXZMANXYDQLE-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.74
Rot. Bonds6

About N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine

N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine (PubChem CID 114667230) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine
PubChem CID114667230
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine
SMILESCOc1cnn(C(C)C)c1C1CCCCC1CNC(C)C
InChIInChI=1S/C17H31N3O/c1-12(2)18-10-14-8-6-7-9-15(14)17-16(21-5)11-19-20(17)13(3)4/h11-15,18H,6-10H2,1-5H3
InChIKeyJIUXZMANXYDQLE-UHFFFAOYSA-N
XLogP3.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine
CID 114667107
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114667176
1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine
CID 114667328
3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine
CID 114664209
N-[[2-(4-bromo-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667269
N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667245
N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine
CID 81025706
N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667118
N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337
N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine
CID 82791684
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylpiperidine
CID 114272278

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine (CID 114667230) is N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine is COc1cnn(C(C)C)c1C1CCCCC1CNC(C)C.
What is the InChIKey of N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is JIUXZMANXYDQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-12(2)18-10-14-8-6-7-9-15(14)17-16(21-5)11-19-20(17)13(3)4/h11-15,18H,6-10H2,1-5H3.
What are the key properties of N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 114667230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).