N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide

C12H15N3O3 — CID 91772290

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCOCc1cc(CNC(=O)c2ccoc2C)[nH]n1
InChIInChI=1S/C12H15N3O3/c1-8-11(3-4-18-8)12(16)13-6-9-5-10(7-17-2)15-14-9/h3-5H,6-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyXMPXUDZWENLXNA-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.39
Rot. Bonds5

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 91772290) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide
PubChem CID91772290
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCOCc1cc(CNC(=O)c2ccoc2C)[nH]n1
InChIInChI=1S/C12H15N3O3/c1-8-11(3-4-18-8)12(16)13-6-9-5-10(7-17-2)15-14-9/h3-5H,6-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyXMPXUDZWENLXNA-UHFFFAOYSA-N
XLogP1.39
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46982449
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 90653226
2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide
CID 119073813
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95713576
2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 23825130
methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate
CID 118770914
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 54936543
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-(1,6-naphthyridin-5-yl)benzamide
CID 162628768
2-methyl-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 95174172
2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
CID 28685207
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97211128

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide (CID 91772290) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide is COCc1cc(CNC(=O)c2ccoc2C)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is XMPXUDZWENLXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-11(3-4-18-8)12(16)13-6-9-5-10(7-17-2)15-14-9/h3-5H,6-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 91772290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).