5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C17H20N6O3 — CID 51999123

IUPAC5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1cc(NC(=O)c2ccco2)n(C)n1
InChIInChI=1S/C17H20N6O3/c1-10-12(11(2)22(3)20-10)9-18-16(24)13-8-15(23(4)21-13)19-17(25)14-6-5-7-26-14/h5-8H,9H2,1-4H3,(H,18,24)(H,19,25)
InChIKeyHEYQEUVURWCQMB-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.55
Rot. Bonds5

About 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 51999123) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID51999123
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1cc(NC(=O)c2ccco2)n(C)n1
InChIInChI=1S/C17H20N6O3/c1-10-12(11(2)22(3)20-10)9-18-16(24)13-8-15(23(4)21-13)19-17(25)14-6-5-7-26-14/h5-8H,9H2,1-4H3,(H,18,24)(H,19,25)
InChIKeyHEYQEUVURWCQMB-UHFFFAOYSA-N
XLogP1.55
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999124
N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999079
5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999001
N-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 38231081
5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide
CID 51998968
4-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231660
5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 51998966
N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 55645164
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959259
1-(furan-2-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 17282055
2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79237744
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 51999123) is 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1cc(NC(=O)c2ccco2)n(C)n1.
What is the InChIKey of 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is HEYQEUVURWCQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-10-12(11(2)22(3)20-10)9-18-16(24)13-8-15(23(4)21-13)19-17(25)14-6-5-7-26-14/h5-8H,9H2,1-4H3,(H,18,24)(H,19,25).
What are the key properties of 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 51999123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).