N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

C17H24N4O2 — CID 19416080

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESCCn1ccc(CNC(=O)c2ccc(CN3CCCCC3)o2)n1
InChIInChI=1S/C17H24N4O2/c1-2-21-11-8-14(19-21)12-18-17(22)16-7-6-15(23-16)13-20-9-4-3-5-10-20/h6-8,11H,2-5,9-10,12-13H2,1H3,(H,18,22)
InChIKeyZZOHIRSIQLORQC-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.41
Rot. Bonds6

About N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19416080) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
PubChem CID19416080
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESCCn1ccc(CNC(=O)c2ccc(CN3CCCCC3)o2)n1
InChIInChI=1S/C17H24N4O2/c1-2-21-11-8-14(19-21)12-18-17(22)16-7-6-15(23-16)13-20-9-4-3-5-10-20/h6-8,11H,2-5,9-10,12-13H2,1H3,(H,18,22)
InChIKeyZZOHIRSIQLORQC-UHFFFAOYSA-N
XLogP2.41
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414076
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19454899
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19468090
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 118769180
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19331115
1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19416100
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 74244576
5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19331041
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-(1-methylpyrazol-3-yl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416098
methyl 1-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19414239

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide (CID 19416080) is N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide is CCn1ccc(CNC(=O)c2ccc(CN3CCCCC3)o2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is ZZOHIRSIQLORQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-21-11-8-14(19-21)12-18-17(22)16-7-6-15(23-16)13-20-9-4-3-5-10-20/h6-8,11H,2-5,9-10,12-13H2,1H3,(H,18,22).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19416080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).