5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide

C15H26N4O2 — CID 170775869

IUPAC5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCCCCC(C)C(=O)Nc1c(C(N)=O)cnn1C(C)C
InChIInChI=1S/C15H26N4O2/c1-5-6-7-8-11(4)15(21)18-14-12(13(16)20)9-17-19(14)10(2)3/h9-11H,5-8H2,1-4H3,(H2,16,20)(H,18,21)
InChIKeyNXPZHLRMYREBLK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.72
Rot. Bonds8

About 5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide

5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 170775869) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID170775869
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCCCCC(C)C(=O)Nc1c(C(N)=O)cnn1C(C)C
InChIInChI=1S/C15H26N4O2/c1-5-6-7-8-11(4)15(21)18-14-12(13(16)20)9-17-19(14)10(2)3/h9-11H,5-8H2,1-4H3,(H2,16,20)(H,18,21)
InChIKeyNXPZHLRMYREBLK-UHFFFAOYSA-N
XLogP2.72
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide (CID 170775869) is 5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide is CCCCCC(C)C(=O)Nc1c(C(N)=O)cnn1C(C)C.
What is the InChIKey of 5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is NXPZHLRMYREBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-6-7-8-11(4)15(21)18-14-12(13(16)20)9-17-19(14)10(2)3/h9-11H,5-8H2,1-4H3,(H2,16,20)(H,18,21).
What are the key properties of 5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide?
5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylheptanoylamino)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 170775869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).