4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide

C13H22N4O2 — CID 106104420

IUPAC4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide
SMILESCn1ccc(CCNC(=O)C2(CN)CCOCC2)n1
InChIInChI=1S/C13H22N4O2/c1-17-7-3-11(16-17)2-6-15-12(18)13(10-14)4-8-19-9-5-13/h3,7H,2,4-6,8-10,14H2,1H3,(H,15,18)
InChIKeyWAJMPFKPAIBKOO-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.17
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide (PubChem CID 106104420) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide
PubChem CID106104420
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide
SMILESCn1ccc(CCNC(=O)C2(CN)CCOCC2)n1
InChIInChI=1S/C13H22N4O2/c1-17-7-3-11(16-17)2-6-15-12(18)13(10-14)4-8-19-9-5-13/h3,7H,2,4-6,8-10,14H2,1H3,(H,15,18)
InChIKeyWAJMPFKPAIBKOO-UHFFFAOYSA-N
XLogP-0.17
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120922301
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide
CID 106390797
4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
CID 114183639
4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide
CID 120921537
2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106104898
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120920693
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120917677
4-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxane-4-carboxamide
CID 120926006

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide (CID 106104420) is 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide is Cn1ccc(CCNC(=O)C2(CN)CCOCC2)n1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide?
The InChIKey is WAJMPFKPAIBKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17-7-3-11(16-17)2-6-15-12(18)13(10-14)4-8-19-9-5-13/h3,7H,2,4-6,8-10,14H2,1H3,(H,15,18).
What are the key properties of 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 106104420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).