[2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine

C10H16N4 — CID 115019182

IUPAC[2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine
SMILESNCc1ccnn1C1CN2CC[C@H]1C2
InChIInChI=1S/C10H16N4/c11-5-9-1-3-12-14(9)10-7-13-4-2-8(10)6-13/h1,3,8,10H,2,4-7,11H2/t8-,10?/m0/s1
InChIKeyDBWCIMHXADRYCU-PEHGTWAWSA-N
MW192.27 g/mol
LogP0.22
Rot. Bonds2

About [2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine

[2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine (PubChem CID 115019182) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is [2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine
PubChem CID115019182
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name[2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine
SMILESNCc1ccnn1C1CN2CC[C@H]1C2
InChIInChI=1S/C10H16N4/c11-5-9-1-3-12-14(9)10-7-13-4-2-8(10)6-13/h1,3,8,10H,2,4-7,11H2/t8-,10?/m0/s1
InChIKeyDBWCIMHXADRYCU-PEHGTWAWSA-N
XLogP0.22
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine?
The IUPAC name of [2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine (CID 115019182) is [2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine?
The canonical SMILES for [2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine is NCc1ccnn1C1CN2CC[C@H]1C2.
What is the InChIKey of [2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine?
The InChIKey is DBWCIMHXADRYCU-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H16N4/c11-5-9-1-3-12-14(9)10-7-13-4-2-8(10)6-13/h1,3,8,10H,2,4-7,11H2/t8-,10?/m0/s1.
What are the key properties of [2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine?
[2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine has a molecular weight of 192.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine is sourced from PubChem (CID 115019182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).