1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine

C16H27N3 — CID 104999302

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
SMILESCCc1cc(CC(N)CC2CC3CCC2C3)n(C)n1
InChIInChI=1S/C16H27N3/c1-3-15-10-16(19(2)18-15)9-14(17)8-13-7-11-4-5-12(13)6-11/h10-14H,3-9,17H2,1-2H3
InChIKeyIUSAQHJBBJZLNH-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.68
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine (PubChem CID 104999302) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
PubChem CID104999302
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
SMILESCCc1cc(CC(N)CC2CC3CCC2C3)n(C)n1
InChIInChI=1S/C16H27N3/c1-3-15-10-16(19(2)18-15)9-14(17)8-13-7-11-4-5-12(13)6-11/h10-14H,3-9,17H2,1-2H3
InChIKeyIUSAQHJBBJZLNH-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
CID 115813550
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 113383435
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,3-diethylpyrazol-5-yl)-N-ethylethanamine
CID 105167871
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63527803
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813447
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105015334
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 104999342
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine (CID 104999302) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine is CCc1cc(CC(N)CC2CC3CCC2C3)n(C)n1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
The InChIKey is IUSAQHJBBJZLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-15-10-16(19(2)18-15)9-14(17)8-13-7-11-4-5-12(13)6-11/h10-14H,3-9,17H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine is sourced from PubChem (CID 104999302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).