N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide

C14H19N3O3 — CID 45193829

IUPACN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide
SMILESCCOc1ccc(C(=O)NC(C)c2c(C)n[nH]c2C)o1
InChIInChI=1S/C14H19N3O3/c1-5-19-12-7-6-11(20-12)14(18)15-8(2)13-9(3)16-17-10(13)4/h6-8H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyHDDDXZGVZQRMMY-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.51
Rot. Bonds5

About N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide

N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide (PubChem CID 45193829) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide
PubChem CID45193829
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide
SMILESCCOc1ccc(C(=O)NC(C)c2c(C)n[nH]c2C)o1
InChIInChI=1S/C14H19N3O3/c1-5-19-12-7-6-11(20-12)14(18)15-8(2)13-9(3)16-17-10(13)4/h6-8H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyHDDDXZGVZQRMMY-UHFFFAOYSA-N
XLogP2.51
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide
CID 126438378
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 138054926
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide
CID 131939244
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
CID 125446825
2-benzyl-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 74229687
1-(5-ethoxyfuran-2-yl)ethanone
CID 67092412
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 169411291
2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 99972786
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19466841
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide
CID 86283950
3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 113357186
ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 64975145

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide?
The IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide (CID 45193829) is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide is CCOc1ccc(C(=O)NC(C)c2c(C)n[nH]c2C)o1.
What is the InChIKey of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide?
The InChIKey is HDDDXZGVZQRMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-5-19-12-7-6-11(20-12)14(18)15-8(2)13-9(3)16-17-10(13)4/h6-8H,5H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide?
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide is sourced from PubChem (CID 45193829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).