5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide

C19H18N6O2 — CID 95213113

About 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 95213113) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 95213113
• Molecular Formula: C19H18N6O2
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.15
• IUPAC Name: 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
• SMILES: O=C(N[C@H](CO)c1cccnc1)c1cc(Cn2cnc3ccccc32)[nH]n1
• InChI: InChI=1S/C19H18N6O2/c26-11-17(13-4-3-7-20-9-13)22-19(27)16-8-14(23-24-16)10-25-12-21-15-5-1-2-6-18(15)25/h1-9,12,17,26H,10-11H2,(H,22,27)(H,23,24)/t17-/m1/s1
• InChIKey: QXXCRRRJKWUKJZ-QGZVFWFLSA-N
• XLogP: 1.67
• TPSA: 108.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide (CID 95213113) is 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide is O=C(N[C@H](CO)c1cccnc1)c1cc(Cn2cnc3ccccc32)[nH]n1.

What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide?

The InChIKey is QXXCRRRJKWUKJZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N6O2/c26-11-17(13-4-3-7-20-9-13)22-19(27)16-8-14(23-24-16)10-25-12-21-15-5-1-2-6-18(15)25/h1-9,12,17,26H,10-11H2,(H,22,27)(H,23,24)/t17-/m1/s1.

What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide?

5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95213113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).