1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

C14H23N3 — CID 43663515

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1[nH]ncc1CNC(C)C1CC2CCC1C2
InChIInChI=1S/C14H23N3/c1-9-13(8-16-17-9)7-15-10(2)14-6-11-3-4-12(14)5-11/h8,10-12,14-15H,3-7H2,1-2H3,(H,16,17)
InChIKeyUEJZDVNSNXIYGK-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.63
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 43663515) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID43663515
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1[nH]ncc1CNC(C)C1CC2CCC1C2
InChIInChI=1S/C14H23N3/c1-9-13(8-16-17-9)7-15-10(2)14-6-11-3-4-12(14)5-11/h8,10-12,14-15H,3-7H2,1-2H3,(H,16,17)
InChIKeyUEJZDVNSNXIYGK-UHFFFAOYSA-N
XLogP2.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 129431229
(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 129431228
(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 93257811
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43312604
1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 43081550
(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129428816
N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 43178334
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 62998246
N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 80701361
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 43100719
2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-4-chlorophenol
CID 43095886
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 43663515) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is Cc1[nH]ncc1CNC(C)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is UEJZDVNSNXIYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-9-13(8-16-17-9)7-15-10(2)14-6-11-3-4-12(14)5-11/h8,10-12,14-15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43663515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).