1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C14H23N3 — CID 103012100

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2CC3CCC2C3)cn1
InChIInChI=1S/C14H23N3/c1-17-9-11(8-16-17)3-5-14(15)13-7-10-2-4-12(13)6-10/h8-10,12-14H,2-7,15H2,1H3
InChIKeyJQDSLTUNRJGMOH-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.12
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103012100) 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)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103012100
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2CC3CCC2C3)cn1
InChIInChI=1S/C14H23N3/c1-17-9-11(8-16-17)3-5-14(15)13-7-10-2-4-12(13)6-10/h8-10,12-14H,2-7,15H2,1H3
InChIKeyJQDSLTUNRJGMOH-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029830
[1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025866
1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011964
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030057
1-(5,6-dimethyl-1,4-dithian-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103345602
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029885
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103012100) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(CCC(N)C2CC3CCC2C3)cn1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is JQDSLTUNRJGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17-9-11(8-16-17)3-5-14(15)13-7-10-2-4-12(13)6-10/h8-10,12-14H,2-7,15H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.12, 4 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-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103012100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).