N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine

C17H31N3O — CID 106830652

IUPACN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1C(C)C)C1(C)CCCCC1
InChIInChI=1S/C17H31N3O/c1-6-18-16(17(4)10-8-7-9-11-17)15-14(21-5)12-19-20(15)13(2)3/h12-13,16,18H,6-11H2,1-5H3
InChIKeyFAHNMJWWMGSUPB-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.09
Rot. Bonds6

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

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106830652) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106830652
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1C(C)C)C1(C)CCCCC1
InChIInChI=1S/C17H31N3O/c1-6-18-16(17(4)10-8-7-9-11-17)15-14(21-5)12-19-20(15)13(2)3/h12-13,16,18H,6-11H2,1-5H3
InChIKeyFAHNMJWWMGSUPB-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105048293
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048369
[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831384
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048332
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048052
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105047944
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830600
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648733
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658533
N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114661820
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
(1-ethoxycyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114661832

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine (CID 106830652) is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine is CCNC(c1c(OC)cnn1C(C)C)C1(C)CCCCC1.
What is the InChIKey of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is FAHNMJWWMGSUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-18-16(17(4)10-8-7-9-11-17)15-14(21-5)12-19-20(15)13(2)3/h12-13,16,18H,6-11H2,1-5H3.
What are the key properties of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine?
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 293.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106830652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).