N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine

C15H23N3 — CID 114097404

IUPACN-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)C1C2C3CCC(C3)C21
InChIInChI=1S/C15H23N3/c1-3-16-15(11-6-7-18(2)17-11)14-12-9-4-5-10(8-9)13(12)14/h6-7,9-10,12-16H,3-5,8H2,1-2H3
InChIKeyKAMUEAAADKOMHH-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.36
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine

N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine (PubChem CID 114097404) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
PubChem CID114097404
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)C1C2C3CCC(C3)C21
InChIInChI=1S/C15H23N3/c1-3-16-15(11-6-7-18(2)17-11)14-12-9-4-5-10(8-9)13(12)14/h6-7,9-10,12-16H,3-5,8H2,1-2H3
InChIKeyKAMUEAAADKOMHH-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine
CID 103130946
N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine
CID 103135015
N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135539
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 79561636
N-[2,3-dihydro-1H-inden-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130973
N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097362
1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103130959
[cyclopropyl-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228557
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131463
1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025491
N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134773

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine (CID 114097404) is N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine is CCNC(c1ccn(C)n1)C1C2C3CCC(C3)C21.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
The InChIKey is KAMUEAAADKOMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-16-15(11-6-7-18(2)17-11)14-12-9-4-5-10(8-9)13(12)14/h6-7,9-10,12-16H,3-5,8H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine is sourced from PubChem (CID 114097404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).