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

C16H18N6O3 — CID 162627413

IUPAC1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NC)c1NC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H18N6O3/c1-3-22-14(12(9-19-22)15(23)17-2)20-16(24)13-6-5-11(25-13)10-21-8-4-7-18-21/h4-9H,3,10H2,1-2H3,(H,17,23)(H,20,24)
InChIKeyJSWVNVNUEPXIHO-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.35
Rot. Bonds6

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

1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide (PubChem CID 162627413) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide
PubChem CID162627413
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NC)c1NC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H18N6O3/c1-3-22-14(12(9-19-22)15(23)17-2)20-16(24)13-6-5-11(25-13)10-21-8-4-7-18-21/h4-9H,3,10H2,1-2H3,(H,17,23)(H,20,24)
InChIKeyJSWVNVNUEPXIHO-UHFFFAOYSA-N
XLogP1.35
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19294529
N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19408956
N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19399657
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19407842
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 35334539
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463007
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19288625
N-(2,3-dihydroxy-2-methylpropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 66170524

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide (CID 162627413) is 1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide is CCn1ncc(C(=O)NC)c1NC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of 1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide?
The InChIKey is JSWVNVNUEPXIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-3-22-14(12(9-19-22)15(23)17-2)20-16(24)13-6-5-11(25-13)10-21-8-4-7-18-21/h4-9H,3,10H2,1-2H3,(H,17,23)(H,20,24).
What are the key properties of 1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide?
1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide is sourced from PubChem (CID 162627413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).