1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile

C15H18N6 — CID 126900685

About 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile

1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126900685) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

• Compound Name: 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
• PubChem CID: 126900685
• Molecular Formula: C15H18N6
• Molecular Weight: 282.35 g/mol
• Exact Mass: 282.16
• IUPAC Name: 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
• SMILES: N#Cc1cnn(C2CN(Cc3cnn4c3CCCC4)C2)c1
• InChI: InChI=1S/C15H18N6/c16-5-12-6-17-21(8-12)14-10-19(11-14)9-13-7-18-20-4-2-1-3-15(13)20/h6-8,14H,1-4,9-11H2
• InChIKey: GUOUWWCPGMQZGH-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 62.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.35
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?

The IUPAC name of 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile (CID 126900685) is 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile.

What is the SMILES notation for 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?

The canonical SMILES for 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CN(Cc3cnn4c3CCCC4)C2)c1.

What is the InChIKey of 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?

The InChIKey is GUOUWWCPGMQZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c16-5-12-6-17-21(8-12)14-10-19(11-14)9-13-7-18-20-4-2-1-3-15(13)20/h6-8,14H,1-4,9-11H2.

What are the key properties of 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?

1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126900685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).