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

C11H13N3O2 — CID 131933266

IUPAC2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnn2C)o1
InChIInChI=1S/C11H13N3O2/c1-8-3-4-9(16-8)7-12-11(15)10-5-6-13-14(10)2/h3-6H,7H2,1-2H3,(H,12,15)
InChIKeySPSDIYNYRCVHLQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.25
Rot. Bonds3

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

2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 131933266) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID131933266
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnn2C)o1
InChIInChI=1S/C11H13N3O2/c1-8-3-4-9(16-8)7-12-11(15)10-5-6-13-14(10)2/h3-6H,7H2,1-2H3,(H,12,15)
InChIKeySPSDIYNYRCVHLQ-UHFFFAOYSA-N
XLogP1.25
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71819739
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 55081690
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
CID 66116333
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
CID 166874447

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide (CID 131933266) is 2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide is Cc1ccc(CNC(=O)c2ccnn2C)o1.
What is the InChIKey of 2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is SPSDIYNYRCVHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-3-4-9(16-8)7-12-11(15)10-5-6-13-14(10)2/h3-6H,7H2,1-2H3,(H,12,15).
What are the key properties of 2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131933266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).