2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide

C13H24N4O — CID 113433572

IUPAC2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
SMILESCCCc1cc(NC(=O)C(CC)(CC)CN)n[nH]1
InChIInChI=1S/C13H24N4O/c1-4-7-10-8-11(17-16-10)15-12(18)13(5-2,6-3)9-14/h8H,4-7,9,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyXRCSBVMUYGIMTD-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.07
Rot. Bonds7

About 2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide

2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide (PubChem CID 113433572) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
PubChem CID113433572
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
SMILESCCCc1cc(NC(=O)C(CC)(CC)CN)n[nH]1
InChIInChI=1S/C13H24N4O/c1-4-7-10-8-11(17-16-10)15-12(18)13(5-2,6-3)9-14/h8H,4-7,9,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyXRCSBVMUYGIMTD-UHFFFAOYSA-N
XLogP2.07
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide (CID 113433572) is 2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide is CCCc1cc(NC(=O)C(CC)(CC)CN)n[nH]1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is XRCSBVMUYGIMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-7-10-8-11(17-16-10)15-12(18)13(5-2,6-3)9-14/h8H,4-7,9,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide?
2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 252.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 113433572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).