1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide

C14H19N3O3 — CID 111481472

IUPAC1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC(C)(O)c2ccc(C)o2)cn1
InChIInChI=1S/C14H19N3O3/c1-4-17-8-11(7-16-17)13(18)15-9-14(3,19)12-6-5-10(2)20-12/h5-8,19H,4,9H2,1-3H3,(H,15,18)
InChIKeyXFANLWGTTXCYFJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.44
Rot. Bonds5

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

1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide (PubChem CID 111481472) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide
PubChem CID111481472
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC(C)(O)c2ccc(C)o2)cn1
InChIInChI=1S/C14H19N3O3/c1-4-17-8-11(7-16-17)13(18)15-9-14(3,19)12-6-5-10(2)20-12/h5-8,19H,4,9H2,1-3H3,(H,15,18)
InChIKeyXFANLWGTTXCYFJ-UHFFFAOYSA-N
XLogP1.44
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111481180
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111912208
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 111481565
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111481145
5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide
CID 111481159
4-bromo-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 96570496

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide (CID 111481472) is 1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCC(C)(O)c2ccc(C)o2)cn1.
What is the InChIKey of 1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is XFANLWGTTXCYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-17-8-11(7-16-17)13(18)15-9-14(3,19)12-6-5-10(2)20-12/h5-8,19H,4,9H2,1-3H3,(H,15,18).
What are the key properties of 1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide?
1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 111481472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).