2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone

C10H13N3O — CID 61150125

IUPAC2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CC2CCC1C2
InChIInChI=1S/C10H13N3O/c14-10(8-4-11-12-5-8)13-6-7-1-2-9(13)3-7/h4-5,7,9H,1-3,6H2,(H,11,12)
InChIKeyJELVCTRTNASZRK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.03
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone

2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone (PubChem CID 61150125) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone
PubChem CID61150125
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CC2CCC1C2
InChIInChI=1S/C10H13N3O/c14-10(8-4-11-12-5-8)13-6-7-1-2-9(13)3-7/h4-5,7,9H,1-3,6H2,(H,11,12)
InChIKeyJELVCTRTNASZRK-UHFFFAOYSA-N
XLogP1.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone (CID 61150125) is 2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone?
The InChIKey is JELVCTRTNASZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(8-4-11-12-5-8)13-6-7-1-2-9(13)3-7/h4-5,7,9H,1-3,6H2,(H,11,12).
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone has a molecular weight of 191.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 61150125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).