1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide

C12H15N3O2 — CID 39854570

IUPAC1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)n(C)n2)o1
InChIInChI=1S/C12H15N3O2/c1-8-6-11(14-15(8)3)12(16)13-7-10-5-4-9(2)17-10/h4-6H,7H2,1-3H3,(H,13,16)
InChIKeyLFMARSNBUBUGHL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.56
Rot. Bonds3

About 1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 39854570) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID39854570
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)n(C)n2)o1
InChIInChI=1S/C12H15N3O2/c1-8-6-11(14-15(8)3)12(16)13-7-10-5-4-9(2)17-10/h4-6H,7H2,1-3H3,(H,13,16)
InChIKeyLFMARSNBUBUGHL-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19279664
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
CID 66116333
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridazine-3-carboxamide
CID 62524620
4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62524791
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide (CID 39854570) is 1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide is Cc1ccc(CNC(=O)c2cc(C)n(C)n2)o1.
What is the InChIKey of 1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is LFMARSNBUBUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-6-11(14-15(8)3)12(16)13-7-10-5-4-9(2)17-10/h4-6H,7H2,1-3H3,(H,13,16).
What are the key properties of 1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 39854570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).