6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene

C10H13N3 — CID 57485680

IUPAC6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene
SMILESC1=C(c2cn[nH]c2)C2CNCC1C2
InChIInChI=1S/C10H13N3/c1-7-2-10(8(1)4-11-3-7)9-5-12-13-6-9/h2,5-8,11H,1,3-4H2,(H,12,13)
InChIKeyTZKQSOXMZNMTSK-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.03
Rot. Bonds1

About 6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene

6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene (PubChem CID 57485680) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene
PubChem CID57485680
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene
SMILESC1=C(c2cn[nH]c2)C2CNCC1C2
InChIInChI=1S/C10H13N3/c1-7-2-10(8(1)4-11-3-7)9-5-12-13-6-9/h2,5-8,11H,1,3-4H2,(H,12,13)
InChIKeyTZKQSOXMZNMTSK-UHFFFAOYSA-N
XLogP1.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 96637487
1-[5-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 136758256
3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride
CID 155755190
4-(1H-pyrazol-4-yl)-7,7a-dihydro-3H-pyrrolo[2,3-d]pyrimidine
CID 126663541
4-(azetidin-3-yloxymethyl)-1H-pyrazole
CID 130569411
(3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 175834567
(3E)-4-(1H-pyrazol-4-yl)-8-azabicyclo[5.1.1]non-3-ene
CID 57485687
2-(1H-pyrazol-4-yl)-1H-imidazole
CID 22037665
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171102536
3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane
CID 57485692

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene (CID 57485680) is 6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene is C1=C(c2cn[nH]c2)C2CNCC1C2.
What is the InChIKey of 6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene?
The InChIKey is TZKQSOXMZNMTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7-2-10(8(1)4-11-3-7)9-5-12-13-6-9/h2,5-8,11H,1,3-4H2,(H,12,13).
What are the key properties of 6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene?
6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene has a molecular weight of 175.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)-3-azabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 57485680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).