4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide

C14H24N4O2 — CID 62038574

IUPAC4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H24N4O2/c1-11-12(9-17-18-11)3-2-6-16-13(19)14(10-15)4-7-20-8-5-14/h9H,2-8,10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyGILXKPKRXMTMBU-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.52
Rot. Bonds6

About 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide

4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide (PubChem CID 62038574) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide
PubChem CID62038574
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H24N4O2/c1-11-12(9-17-18-11)3-2-6-16-13(19)14(10-15)4-7-20-8-5-14/h9H,2-8,10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyGILXKPKRXMTMBU-UHFFFAOYSA-N
XLogP0.52
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide (CID 62038574) is 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide is Cc1[nH]ncc1CCCNC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide?
The InChIKey is GILXKPKRXMTMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-12(9-17-18-11)3-2-6-16-13(19)14(10-15)4-7-20-8-5-14/h9H,2-8,10,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide is sourced from PubChem (CID 62038574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).