1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid

C19H25N7O3 — CID 19470895

About 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid

1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid (PubChem CID 19470895) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
• PubChem CID: 19470895
• Molecular Formula: C19H25N7O3
• Molecular Weight: 399.46 g/mol
• Exact Mass: 399.20
• IUPAC Name: 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
• SMILES: CCn1ncc(Cn2nc(C)c(NC(=O)CCn3ccc(C(=O)O)n3)c2C)c1C
• InChI: InChI=1S/C19H25N7O3/c1-5-25-13(3)15(10-20-25)11-26-14(4)18(12(2)22-26)21-17(27)7-9-24-8-6-16(23-24)19(28)29/h6,8,10H,5,7,9,11H2,1-4H3,(H,21,27)(H,28,29)
• InChIKey: LERFMTCAQZNYRG-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 119.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.46
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?

The IUPAC name of 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid (CID 19470895) is 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid.

What is the SMILES notation for 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?

The canonical SMILES for 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid is CCn1ncc(Cn2nc(C)c(NC(=O)CCn3ccc(C(=O)O)n3)c2C)c1C.

What is the InChIKey of 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?

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

What are the key properties of 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?

1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid has a molecular weight of 399.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19470895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).