N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide

C21H25N5O4 — CID 19416111

IUPACN-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
SMILESCn1cc(NC(=O)c2ccc(CN3CCCCC3)o2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C21H25N5O4/c1-25-14-17(19(24-25)21(28)22-12-15-6-5-11-29-15)23-20(27)18-8-7-16(30-18)13-26-9-3-2-4-10-26/h5-8,11,14H,2-4,9-10,12-13H2,1H3,(H,22,28)(H,23,27)
InChIKeyGFXKNBOAXBIYRT-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.77
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide

N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide (PubChem CID 19416111) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
PubChem CID19416111
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
SMILESCn1cc(NC(=O)c2ccc(CN3CCCCC3)o2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C21H25N5O4/c1-25-14-17(19(24-25)21(28)22-12-15-6-5-11-29-15)23-20(27)18-8-7-16(30-18)13-26-9-3-2-4-10-26/h5-8,11,14H,2-4,9-10,12-13H2,1H3,(H,22,28)(H,23,27)
InChIKeyGFXKNBOAXBIYRT-UHFFFAOYSA-N
XLogP2.77
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19416100
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19400405
N-(furan-2-ylmethyl)-1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19400500
N-(1-methylpyrazol-3-yl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416098
4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477079
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485639
1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472218
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400521
methyl 1-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19414239
N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 35332804
4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400443

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide (CID 19416111) is N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide is Cn1cc(NC(=O)c2ccc(CN3CCCCC3)o2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
The InChIKey is GFXKNBOAXBIYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-25-14-17(19(24-25)21(28)22-12-15-6-5-11-29-15)23-20(27)18-8-7-16(30-18)13-26-9-3-2-4-10-26/h5-8,11,14H,2-4,9-10,12-13H2,1H3,(H,22,28)(H,23,27).
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19416111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).