3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide

C11H14N4O2 — CID 55081557

IUPAC3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2c(N)n[nH]c2C)o1
InChIInChI=1S/C11H14N4O2/c1-6-3-4-8(17-6)5-13-11(16)9-7(2)14-15-10(9)12/h3-4H,5H2,1-2H3,(H,13,16)(H3,12,14,15)
InChIKeyOEORYYCZHQZGRZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.13
Rot. Bonds3

About 3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide

3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 55081557) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID55081557
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2c(N)n[nH]c2C)o1
InChIInChI=1S/C11H14N4O2/c1-6-3-4-8(17-6)5-13-11(16)9-7(2)14-15-10(9)12/h3-4H,5H2,1-2H3,(H,13,16)(H3,12,14,15)
InChIKeyOEORYYCZHQZGRZ-UHFFFAOYSA-N
XLogP1.13
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
N-[(5-methylfuran-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70750896
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
4-amino-2-(diethylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665473
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
CID 63958587
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 114045976
4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
CID 66116333
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
3-amino-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 114182522

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide (CID 55081557) is 3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide is Cc1ccc(CNC(=O)c2c(N)n[nH]c2C)o1.
What is the InChIKey of 3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OEORYYCZHQZGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-3-4-8(17-6)5-13-11(16)9-7(2)14-15-10(9)12/h3-4H,5H2,1-2H3,(H,13,16)(H3,12,14,15).
What are the key properties of 3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide?
3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55081557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).