4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide

C17H20N6O3 — CID 4770795

IUPAC4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1C(N)=O
InChIInChI=1S/C17H20N6O3/c1-4-22-15(16(18)24)13(8-19-22)20-17(25)14-6-5-12(26-14)9-23-11(3)7-10(2)21-23/h5-8H,4,9H2,1-3H3,(H2,18,24)(H,20,25)
InChIKeyFDWCBTHMHSQVEH-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.71
Rot. Bonds6

About 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide

4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide (PubChem CID 4770795) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide
PubChem CID4770795
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1C(N)=O
InChIInChI=1S/C17H20N6O3/c1-4-22-15(16(18)24)13(8-19-22)20-17(25)14-6-5-12(26-14)9-23-11(3)7-10(2)21-23/h5-8H,4,9H2,1-3H3,(H2,18,24)(H,20,25)
InChIKeyFDWCBTHMHSQVEH-UHFFFAOYSA-N
XLogP1.71
TPSA120.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide (CID 4770795) is 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1C(N)=O.
What is the InChIKey of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide?
The InChIKey is FDWCBTHMHSQVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-4-22-15(16(18)24)13(8-19-22)20-17(25)14-6-5-12(26-14)9-23-11(3)7-10(2)21-23/h5-8H,4,9H2,1-3H3,(H2,18,24)(H,20,25).
What are the key properties of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide?
4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 4770795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).