N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

C16H19N5O2S — CID 111458450

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 111458450) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
• PubChem CID: 111458450
• Molecular Formula: C16H19N5O2S
• Molecular Weight: 345.43 g/mol
• Exact Mass: 345.13
• IUPAC Name: N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
• SMILES: Cc1nc(-c2c[nH]c(C(=O)NCC(C)(O)c3cnn(C)c3)c2)cs1
• InChI: InChI=1S/C16H19N5O2S/c1-10-20-14(8-24-10)11-4-13(17-5-11)15(22)18-9-16(2,23)12-6-19-21(3)7-12/h4-8,17,23H,9H2,1-3H3,(H,18,22)
• InChIKey: FVRQHYPCVQOJFC-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 95.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.43
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide (CID 111458450) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide is Cc1nc(-c2c[nH]c(C(=O)NCC(C)(O)c3cnn(C)c3)c2)cs1.

What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?

The InChIKey is FVRQHYPCVQOJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-20-14(8-24-10)11-4-13(17-5-11)15(22)18-9-16(2,23)12-6-19-21(3)7-12/h4-8,17,23H,9H2,1-3H3,(H,18,22).

What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 111458450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).