3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide

C16H24N6O2 — CID 3073191

IUPAC3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide
SMILESCc1ccn(C(=O)NCCCCCCNC(=O)n2ccc(C)n2)n1
InChIInChI=1S/C16H24N6O2/c1-13-7-11-21(19-13)15(23)17-9-5-3-4-6-10-18-16(24)22-12-8-14(2)20-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyXSBHTRGQLMDQHV-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.07
Rot. Bonds7

About 3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide

3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide (PubChem CID 3073191) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide
PubChem CID3073191
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide
SMILESCc1ccn(C(=O)NCCCCCCNC(=O)n2ccc(C)n2)n1
InChIInChI=1S/C16H24N6O2/c1-13-7-11-21(19-13)15(23)17-9-5-3-4-6-10-18-16(24)22-12-8-14(2)20-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyXSBHTRGQLMDQHV-UHFFFAOYSA-N
XLogP2.07
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide?
The IUPAC name of 3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide (CID 3073191) is 3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide is Cc1ccn(C(=O)NCCCCCCNC(=O)n2ccc(C)n2)n1.
What is the InChIKey of 3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide?
The InChIKey is XSBHTRGQLMDQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-13-7-11-21(19-13)15(23)17-9-5-3-4-6-10-18-16(24)22-12-8-14(2)20-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,17,23)(H,18,24).
What are the key properties of 3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide?
3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide is sourced from PubChem (CID 3073191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).