(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine

C13H21N3 — CID 129431229

IUPAC(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccn[nH]1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C13H21N3/c1-9(14-8-12-4-5-15-16-12)13-7-10-2-3-11(13)6-10/h4-5,9-11,13-14H,2-3,6-8H2,1H3,(H,15,16)/t9-,10+,11+,13-/m1/s1
InChIKeyGQBIUSSXDMJPDY-MPPDQPJWSA-N
MW219.33 g/mol
LogP2.32
Rot. Bonds4

About (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine

(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 129431229) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID129431229
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccn[nH]1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C13H21N3/c1-9(14-8-12-4-5-15-16-12)13-7-10-2-3-11(13)6-10/h4-5,9-11,13-14H,2-3,6-8H2,1H3,(H,15,16)/t9-,10+,11+,13-/m1/s1
InChIKeyGQBIUSSXDMJPDY-MPPDQPJWSA-N
XLogP2.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine with MolForge

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Related Compounds

(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 129431228
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663515
(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
(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-bromophenyl)methyl]ethanamine
CID 129428903
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 62998246
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62747079
(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 129428935
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 43178335
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
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 43100719

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 129431229) is (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine is C[C@@H](NCc1ccn[nH]1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is GQBIUSSXDMJPDY-MPPDQPJWSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(14-8-12-4-5-15-16-12)13-7-10-2-3-11(13)6-10/h4-5,9-11,13-14H,2-3,6-8H2,1H3,(H,15,16)/t9-,10+,11+,13-/m1/s1.
What are the key properties of (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 129431229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).