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

C17H25N3O2 — CID 131904122

IUPAC1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCCc1ccc(C)o1
InChIInChI=1S/C17H25N3O2/c1-5-20-16(11-14(19-20)10-12(2)3)17(21)18-9-8-15-7-6-13(4)22-15/h6-7,11-12H,5,8-10H2,1-4H3,(H,18,21)
InChIKeyDWMURSMXSJWRLA-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.98
Rot. Bonds7

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

1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 131904122) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID131904122
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCCc1ccc(C)o1
InChIInChI=1S/C17H25N3O2/c1-5-20-16(11-14(19-20)10-12(2)3)17(21)18-9-8-15-7-6-13(4)22-15/h6-7,11-12H,5,8-10H2,1-4H3,(H,18,21)
InChIKeyDWMURSMXSJWRLA-UHFFFAOYSA-N
XLogP2.98
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72905914
N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
1-ethyl-N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131889543
(2R,3S)-2-[[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]amino]-3-hydroxybutanoic acid
CID 72912017
1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide
CID 97110787
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72864861
1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72933924
N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72898422
5-acetamido-N-[2-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51999490
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
4-methoxy-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 91778944
1-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131935945

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 131904122) is 1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)NCCc1ccc(C)o1.
What is the InChIKey of 1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is DWMURSMXSJWRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-20-16(11-14(19-20)10-12(2)3)17(21)18-9-8-15-7-6-13(4)22-15/h6-7,11-12H,5,8-10H2,1-4H3,(H,18,21).
What are the key properties of 1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 131904122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).