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

C19H24N6O3 — CID 118729529

IUPAC4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(=O)N(C)C)n1
InChIInChI=1S/C19H24N6O3/c1-6-24-11-15(17(22-24)19(27)23(4)5)20-18(26)16-8-7-14(28-16)10-25-13(3)9-12(2)21-25/h7-9,11H,6,10H2,1-5H3,(H,20,26)
InChIKeyCFBNOHGPNQJJGK-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.31
Rot. Bonds6

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

4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 118729529) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide
PubChem CID118729529
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(=O)N(C)C)n1
InChIInChI=1S/C19H24N6O3/c1-6-24-11-15(17(22-24)19(27)23(4)5)20-18(26)16-8-7-14(28-16)10-25-13(3)9-12(2)21-25/h7-9,11H,6,10H2,1-5H3,(H,20,26)
InChIKeyCFBNOHGPNQJJGK-UHFFFAOYSA-N
XLogP2.31
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-ethyl-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide (CID 118729529) is 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(=O)N(C)C)n1.
What is the InChIKey of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is CFBNOHGPNQJJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-6-24-11-15(17(22-24)19(27)23(4)5)20-18(26)16-8-7-14(28-16)10-25-13(3)9-12(2)21-25/h7-9,11H,6,10H2,1-5H3,(H,20,26).
What are the key properties of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide?
4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 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-ethyl-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 118729529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).