5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide

C17H24N4O2 — CID 19467753

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NC3CCN(C)CC3)o2)n1
InChIInChI=1S/C17H24N4O2/c1-12-10-13(2)21(19-12)11-15-4-5-16(23-15)17(22)18-14-6-8-20(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyGKWJOYBKJWKGBW-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.97
Rot. Bonds4

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 19467753) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
PubChem CID19467753
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NC3CCN(C)CC3)o2)n1
InChIInChI=1S/C17H24N4O2/c1-12-10-13(2)21(19-12)11-15-4-5-16(23-15)17(22)18-14-6-8-20(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyGKWJOYBKJWKGBW-UHFFFAOYSA-N
XLogP1.97
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466000
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]furan-2-carboxamide
CID 35333649
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19465995
sodium 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
CID 19616340
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]benzamide
CID 131915877
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 98332411
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 4770745
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918280
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 95749144
N-(4-aminocyclohexyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119474893
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 171130993
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide (CID 19467753) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)NC3CCN(C)CC3)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is GKWJOYBKJWKGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-10-13(2)21(19-12)11-15-4-5-16(23-15)17(22)18-14-6-8-20(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,22).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 19467753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).