5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide

C13H24N4O — CID 114263071

IUPAC5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide
SMILESCC(N)CCCC(=O)Nc1cn(C)nc1C(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)13-11(8-17(4)16-13)15-12(18)7-5-6-10(3)14/h8-10H,5-7,14H2,1-4H3,(H,15,18)
InChIKeyPNBWJNUJLNOPHF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.00
Rot. Bonds6

About 5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide

5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide (PubChem CID 114263071) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide
PubChem CID114263071
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide
SMILESCC(N)CCCC(=O)Nc1cn(C)nc1C(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)13-11(8-17(4)16-13)15-12(18)7-5-6-10(3)14/h8-10H,5-7,14H2,1-4H3,(H,15,18)
InChIKeyPNBWJNUJLNOPHF-UHFFFAOYSA-N
XLogP2.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide?
The IUPAC name of 5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide (CID 114263071) is 5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide.
What is the SMILES notation for 5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide?
The canonical SMILES for 5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide is CC(N)CCCC(=O)Nc1cn(C)nc1C(C)C.
What is the InChIKey of 5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide?
The InChIKey is PNBWJNUJLNOPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)13-11(8-17(4)16-13)15-12(18)7-5-6-10(3)14/h8-10H,5-7,14H2,1-4H3,(H,15,18).
What are the key properties of 5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide?
5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide has a molecular weight of 252.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide is sourced from PubChem (CID 114263071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).