N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide

C12H15N3O2 — CID 19468949

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccco2)cnn1C
InChIInChI=1S/C12H15N3O2/c1-8(10-7-13-15(3)9(10)2)14-12(16)11-5-4-6-17-11/h4-8H,1-3H3,(H,14,16)
InChIKeyPOSCFYNBETYYAA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.81
Rot. Bonds3

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 19468949) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
PubChem CID19468949
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccco2)cnn1C
InChIInChI=1S/C12H15N3O2/c1-8(10-7-13-15(3)9(10)2)14-12(16)11-5-4-6-17-11/h4-8H,1-3H3,(H,14,16)
InChIKeyPOSCFYNBETYYAA-UHFFFAOYSA-N
XLogP1.81
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide (CID 19468949) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide is Cc1c(C(C)NC(=O)c2ccco2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is POSCFYNBETYYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(10-7-13-15(3)9(10)2)14-12(16)11-5-4-6-17-11/h4-8H,1-3H3,(H,14,16).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19468949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).