N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide

C12H16N4O2 — CID 113243090

IUPACN-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NCc2occc2C)cn1
InChIInChI=1S/C12H16N4O2/c1-9-3-4-18-11(9)6-14-10-5-15-16(7-10)8-12(17)13-2/h3-5,7,14H,6,8H2,1-2H3,(H,13,17)
InChIKeySFKANPFRLNMPIO-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.14
Rot. Bonds5

About N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide

N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 113243090) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide
PubChem CID113243090
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NCc2occc2C)cn1
InChIInChI=1S/C12H16N4O2/c1-9-3-4-18-11(9)6-14-10-5-15-16(7-10)8-12(17)13-2/h3-5,7,14H,6,8H2,1-2H3,(H,13,17)
InChIKeySFKANPFRLNMPIO-UHFFFAOYSA-N
XLogP1.14
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115749351
2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 54866454
N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760481
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 78928765
2-[4-[(3,5-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932423
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931328
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide
CID 127266991
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide (CID 113243090) is N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(NCc2occc2C)cn1.
What is the InChIKey of N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is SFKANPFRLNMPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9-3-4-18-11(9)6-14-10-5-15-16(7-10)8-12(17)13-2/h3-5,7,14H,6,8H2,1-2H3,(H,13,17).
What are the key properties of N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide?
N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 248.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 113243090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).