3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide

C14H25N5O2 — CID 11645047

IUPAC3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)CCCCCN)n[nH]1
InChIInChI=1S/C14H25N5O2/c1-10(2)9-16-14(21)11-8-12(19-18-11)17-13(20)6-4-3-5-7-15/h8,10H,3-7,9,15H2,1-2H3,(H,16,21)(H2,17,18,19,20)
InChIKeyRBFLVACDKMTJIX-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.25
Rot. Bonds9

About 3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide

3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 11645047) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID11645047
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)CCCCCN)n[nH]1
InChIInChI=1S/C14H25N5O2/c1-10(2)9-16-14(21)11-8-12(19-18-11)17-13(20)6-4-3-5-7-15/h8,10H,3-7,9,15H2,1-2H3,(H,16,21)(H2,17,18,19,20)
InChIKeyRBFLVACDKMTJIX-UHFFFAOYSA-N
XLogP1.25
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.25
H-Bond Donors ≤ 54
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 3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide (CID 11645047) is 3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide is CC(C)CNC(=O)c1cc(NC(=O)CCCCCN)n[nH]1.
What is the InChIKey of 3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RBFLVACDKMTJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-10(2)9-16-14(21)11-8-12(19-18-11)17-13(20)6-4-3-5-7-15/h8,10H,3-7,9,15H2,1-2H3,(H,16,21)(H2,17,18,19,20).
What are the key properties of 3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 1.25, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 11645047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).