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

C17H20N6O3 — CID 4770495

IUPAC4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(N)=O)n1
InChIInChI=1S/C17H20N6O3/c1-4-22-9-13(15(21-22)16(18)24)19-17(25)14-6-5-12(26-14)8-23-11(3)7-10(2)20-23/h5-7,9H,4,8H2,1-3H3,(H2,18,24)(H,19,25)
InChIKeyUACIRNBAOPGVCY-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-3-carboxamide

4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 4770495) 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-3-carboxamide.

Molecular Properties

Compound Name4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID4770495
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-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(N)=O)n1
InChIInChI=1S/C17H20N6O3/c1-4-22-9-13(15(21-22)16(18)24)19-17(25)14-6-5-12(26-14)8-23-11(3)7-10(2)20-23/h5-7,9H,4,8H2,1-3H3,(H2,18,24)(H,19,25)
InChIKeyUACIRNBAOPGVCY-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-3-carboxamide?
The IUPAC name of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide (CID 4770495) is 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(N)=O)n1.
What is the InChIKey of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is UACIRNBAOPGVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-4-22-9-13(15(21-22)16(18)24)19-17(25)14-6-5-12(26-14)8-23-11(3)7-10(2)20-23/h5-7,9H,4,8H2,1-3H3,(H2,18,24)(H,19,25).
What are the key properties of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-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-3-carboxamide is sourced from PubChem (CID 4770495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).