N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide

C16H23N3O2 — CID 42759616

IUPACN-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
SMILESCCCCCCNC(=O)c1cc(-c2ccc(C)o2)nn1C
InChIInChI=1S/C16H23N3O2/c1-4-5-6-7-10-17-16(20)14-11-13(18-19(14)3)15-9-8-12(2)21-15/h8-9,11H,4-7,10H2,1-3H3,(H,17,20)
InChIKeyQNEUAXZWWHGMNS-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.30
Rot. Bonds7

About N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide

N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide (PubChem CID 42759616) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
PubChem CID42759616
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
SMILESCCCCCCNC(=O)c1cc(-c2ccc(C)o2)nn1C
InChIInChI=1S/C16H23N3O2/c1-4-5-6-7-10-17-16(20)14-11-13(18-19(14)3)15-9-8-12(2)21-15/h8-9,11H,4-7,10H2,1-3H3,(H,17,20)
InChIKeyQNEUAXZWWHGMNS-UHFFFAOYSA-N
XLogP3.30
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 59022894
1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone
CID 115092922
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 812350
ethyl 1-methyl-3-(octadecylcarbamoyl)pyrazole-5-carboxylate
CID 19266999
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
4-bromo-1,5-dimethyl-N-octadecylpyrazole-3-carboxamide
CID 19266131
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3514821
N-butyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480290
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide (CID 42759616) is N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide is CCCCCCNC(=O)c1cc(-c2ccc(C)o2)nn1C.
What is the InChIKey of N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
The InChIKey is QNEUAXZWWHGMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-5-6-7-10-17-16(20)14-11-13(18-19(14)3)15-9-8-12(2)21-15/h8-9,11H,4-7,10H2,1-3H3,(H,17,20).
What are the key properties of N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 42759616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).