2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C13H20ClN3 — CID 113470727

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nn(C)c(Cl)c1CC1(N)CC2CCC1C2
InChIInChI=1S/C13H20ClN3/c1-8-11(12(14)17(2)16-8)7-13(15)6-9-3-4-10(13)5-9/h9-10H,3-7,15H2,1-2H3
InChIKeyQGHWNDGMQTWWCN-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.44
Rot. Bonds2

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 113470727) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID113470727
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nn(C)c(Cl)c1CC1(N)CC2CCC1C2
InChIInChI=1S/C13H20ClN3/c1-8-11(12(14)17(2)16-8)7-13(15)6-9-3-4-10(13)5-9/h9-10H,3-7,15H2,1-2H3
InChIKeyQGHWNDGMQTWWCN-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 113470727) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Cc1nn(C)c(Cl)c1CC1(N)CC2CCC1C2.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is QGHWNDGMQTWWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-8-11(12(14)17(2)16-8)7-13(15)6-9-3-4-10(13)5-9/h9-10H,3-7,15H2,1-2H3.
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 253.78 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 113470727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).