4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide

C13H18N4O2 — CID 65357917

IUPAC4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC(C)c2ccc(C)o2)n1
InChIInChI=1S/C13H18N4O2/c1-4-17-7-10(14)12(16-17)13(18)15-9(3)11-6-5-8(2)19-11/h5-7,9H,4,14H2,1-3H3,(H,15,18)
InChIKeyXIOXVOYJFQBPGQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.88
Rot. Bonds4

About 4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide

4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 65357917) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide
PubChem CID65357917
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC(C)c2ccc(C)o2)n1
InChIInChI=1S/C13H18N4O2/c1-4-17-7-10(14)12(16-17)13(18)15-9(3)11-6-5-8(2)19-11/h5-7,9H,4,14H2,1-3H3,(H,15,18)
InChIKeyXIOXVOYJFQBPGQ-UHFFFAOYSA-N
XLogP1.88
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide (CID 65357917) is 4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NC(C)c2ccc(C)o2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is XIOXVOYJFQBPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-17-7-10(14)12(16-17)13(18)15-9(3)11-6-5-8(2)19-11/h5-7,9H,4,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65357917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).