3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

C19H25N7O3 — CID 19491983

About 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19491983) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
• PubChem CID: 19491983
• Molecular Formula: C19H25N7O3
• Molecular Weight: 399.46 g/mol
• Exact Mass: 399.20
• IUPAC Name: 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
• SMILES: Cc1nn(C)c(C)c1Cn1nc(C)c(NC(=O)c2ccnn2CCC(=O)O)c1C
• InChI: InChI=1S/C19H25N7O3/c1-11-15(13(3)24(5)22-11)10-26-14(4)18(12(2)23-26)21-19(29)16-6-8-20-25(16)9-7-17(27)28/h6,8H,7,9-10H2,1-5H3,(H,21,29)(H,27,28)
• InChIKey: LZDDLWUCRJOYIQ-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 119.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.46
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?

The IUPAC name of 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19491983) is 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

What is the SMILES notation for 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?

The canonical SMILES for 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is Cc1nn(C)c(C)c1Cn1nc(C)c(NC(=O)c2ccnn2CCC(=O)O)c1C.

What is the InChIKey of 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?

The InChIKey is LZDDLWUCRJOYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-11-15(13(3)24(5)22-11)10-26-14(4)18(12(2)23-26)21-19(29)16-6-8-20-25(16)9-7-17(27)28/h6,8H,7,9-10H2,1-5H3,(H,21,29)(H,27,28).

What are the key properties of 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?

3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 399.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).