1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine

C14H23N3O — CID 105047693

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
SMILESCCn1ncc(OC)c1C(NC)C1CC2CC2C1
InChIInChI=1S/C14H23N3O/c1-4-17-14(12(18-3)8-16-17)13(15-2)11-6-9-5-10(9)7-11/h8-11,13,15H,4-7H2,1-3H3
InChIKeyHXEQQLZQUAPCDQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.22
Rot. Bonds5

About 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine

1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine (PubChem CID 105047693) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
PubChem CID105047693
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
SMILESCCn1ncc(OC)c1C(NC)C1CC2CC2C1
InChIInChI=1S/C14H23N3O/c1-4-17-14(12(18-3)8-16-17)13(15-2)11-6-9-5-10(9)7-11/h8-11,13,15H,4-7H2,1-3H3
InChIKeyHXEQQLZQUAPCDQ-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660208
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048056
[(3-ethylcyclopentyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105233464
3-bicyclo[3.1.0]hexanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837684
N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114655232
1-(4,4-dimethylcyclohexyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114655317
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444969
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 114657785
[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105234135
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine (CID 105047693) is 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine is CCn1ncc(OC)c1C(NC)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine?
The InChIKey is HXEQQLZQUAPCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-17-14(12(18-3)8-16-17)13(15-2)11-6-9-5-10(9)7-11/h8-11,13,15H,4-7H2,1-3H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105047693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).