6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide

C12H22N4O — CID 65291097

IUPAC6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide
SMILESCc1cc(NC(=O)C(C)CCCC(C)N)n[nH]1
InChIInChI=1S/C12H22N4O/c1-8(5-4-6-9(2)13)12(17)14-11-7-10(3)15-16-11/h7-9H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeySSUWWFOJIZFPEM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.81
Rot. Bonds6

About 6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide

6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide (PubChem CID 65291097) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide
PubChem CID65291097
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide
SMILESCc1cc(NC(=O)C(C)CCCC(C)N)n[nH]1
InChIInChI=1S/C12H22N4O/c1-8(5-4-6-9(2)13)12(17)14-11-7-10(3)15-16-11/h7-9H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeySSUWWFOJIZFPEM-UHFFFAOYSA-N
XLogP1.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide (CID 65291097) is 6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide is Cc1cc(NC(=O)C(C)CCCC(C)N)n[nH]1.
What is the InChIKey of 6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide?
The InChIKey is SSUWWFOJIZFPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(5-4-6-9(2)13)12(17)14-11-7-10(3)15-16-11/h7-9H,4-6,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide?
6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide has a molecular weight of 238.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide is sourced from PubChem (CID 65291097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).