1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine

C16H27N3O — CID 114660349

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(OC)c1C(NC)C1CC2CCC1C2
InChIInChI=1S/C16H27N3O/c1-4-7-19-16(14(20-3)10-18-19)15(17-2)13-9-11-5-6-12(13)8-11/h10-13,15,17H,4-9H2,1-3H3
InChIKeyVRYJNCXIZYSLFR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.00
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine

1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 114660349) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
PubChem CID114660349
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(OC)c1C(NC)C1CC2CCC1C2
InChIInChI=1S/C16H27N3O/c1-4-7-19-16(14(20-3)10-18-19)15(17-2)13-9-11-5-6-12(13)8-11/h10-13,15,17H,4-9H2,1-3H3
InChIKeyVRYJNCXIZYSLFR-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 105048734
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
1-(4,4-dimethylcyclohexyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114655317
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 114659538
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444711
1-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114659431
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114660339
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114653289
1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047693
1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 114246814
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660208
3-bicyclo[3.1.0]hexanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837684

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine (CID 114660349) is 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine is CCCn1ncc(OC)c1C(NC)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is VRYJNCXIZYSLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-7-19-16(14(20-3)10-18-19)15(17-2)13-9-11-5-6-12(13)8-11/h10-13,15,17H,4-9H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 114660349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).