5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide

C18H23N5O2 — CID 94775965

About 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (PubChem CID 94775965) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 94775965
• Molecular Formula: C18H23N5O2
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.19
• IUPAC Name: 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
• SMILES: C[C@@H]1CN(c2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cn2)C[C@@H](C)O1
• InChI: InChI=1S/C18H23N5O2/c1-11-9-23(10-12(2)25-11)17-6-5-14(8-19-17)20-18(24)16-7-15(21-22-16)13-3-4-13/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,24)(H,21,22)/t11-,12-/m1/s1
• InChIKey: VMRPLQOONRHGHR-VXGBXAGGSA-N
• XLogP: 2.55
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (CID 94775965) is 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is C[C@@H]1CN(c2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cn2)C[C@@H](C)O1.

What is the InChIKey of 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?

The InChIKey is VMRPLQOONRHGHR-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-9-23(10-12(2)25-11)17-6-5-14(8-19-17)20-18(24)16-7-15(21-22-16)13-3-4-13/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,24)(H,21,22)/t11-,12-/m1/s1.

What are the key properties of 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?

5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 94775965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).