N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide

C11H20N4O — CID 114752029

IUPACN-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide
SMILESCCCCCCC(=O)Nc1n[nH]c(C)c1N
InChIInChI=1S/C11H20N4O/c1-3-4-5-6-7-9(16)13-11-10(12)8(2)14-15-11/h3-7,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyAMVSFRWULJGXJW-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.21
Rot. Bonds6

About N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide

N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide (PubChem CID 114752029) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide.

Molecular Properties

Compound NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide
PubChem CID114752029
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide
SMILESCCCCCCC(=O)Nc1n[nH]c(C)c1N
InChIInChI=1S/C11H20N4O/c1-3-4-5-6-7-9(16)13-11-10(12)8(2)14-15-11/h3-7,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyAMVSFRWULJGXJW-UHFFFAOYSA-N
XLogP2.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide?
The IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide (CID 114752029) is N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide.
What is the SMILES notation for N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide?
The canonical SMILES for N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide is CCCCCCC(=O)Nc1n[nH]c(C)c1N.
What is the InChIKey of N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide?
The InChIKey is AMVSFRWULJGXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-5-6-7-9(16)13-11-10(12)8(2)14-15-11/h3-7,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide?
N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide has a molecular weight of 224.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide is sourced from PubChem (CID 114752029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).