N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C14H23N3 — CID 65196991

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nn(C)cc1C(C)NC1CC2CCC1C2
InChIInChI=1S/C14H23N3/c1-9(13-8-17(3)16-10(13)2)15-14-7-11-4-5-12(14)6-11/h8-9,11-12,14-15H,4-7H2,1-3H3
InChIKeyAQAAQSRKIOIEDK-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.57
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 65196991) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID65196991
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nn(C)cc1C(C)NC1CC2CCC1C2
InChIInChI=1S/C14H23N3/c1-9(13-8-17(3)16-10(13)2)15-14-7-11-4-5-12(14)6-11/h8-9,11-12,14-15H,4-7H2,1-3H3
InChIKeyAQAAQSRKIOIEDK-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81333722
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115716888
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113262260
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 65197378
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-ethylpiperidin-4-amine
CID 65197175
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 65196831
N-(dicyclopropylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191955
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine
CID 65197375
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 65197237
3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890681
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 65197463
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 65196991) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cc1nn(C)cc1C(C)NC1CC2CCC1C2.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is AQAAQSRKIOIEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-9(13-8-17(3)16-10(13)2)15-14-7-11-4-5-12(14)6-11/h8-9,11-12,14-15H,4-7H2,1-3H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65196991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).