5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide

C13H18N4O3 — CID 75397489

IUPAC5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCOCc2ccco2)c1N
InChIInChI=1S/C13H18N4O3/c1-17-12(14)11(8-16-17)13(18)15-5-3-6-19-9-10-4-2-7-20-10/h2,4,7-8H,3,5-6,9,14H2,1H3,(H,15,18)
InChIKeyXVGKCZMTZMUWDQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.93
Rot. Bonds7

About 5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide (PubChem CID 75397489) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
PubChem CID75397489
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCOCc2ccco2)c1N
InChIInChI=1S/C13H18N4O3/c1-17-12(14)11(8-16-17)13(18)15-5-3-6-19-9-10-4-2-7-20-10/h2,4,7-8H,3,5-6,9,14H2,1H3,(H,15,18)
InChIKeyXVGKCZMTZMUWDQ-UHFFFAOYSA-N
XLogP0.93
TPSA95.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 104587708
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
CID 51296855
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
2-(dimethylamino)-N-[3-(furan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 87038703
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
CID 51296890
2-(5-amino-2-pyridinyl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 107338293
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide (CID 75397489) is 5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCCCOCc2ccco2)c1N.
What is the InChIKey of 5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is XVGKCZMTZMUWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-17-12(14)11(8-16-17)13(18)15-5-3-6-19-9-10-4-2-7-20-10/h2,4,7-8H,3,5-6,9,14H2,1H3,(H,15,18).
What are the key properties of 5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 75397489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).