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

C18H22N6O3 — CID 19467838

IUPAC4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(=O)NC)n1
InChIInChI=1S/C18H22N6O3/c1-5-23-10-14(16(22-23)18(26)19-4)20-17(25)15-7-6-13(27-15)9-24-12(3)8-11(2)21-24/h6-8,10H,5,9H2,1-4H3,(H,19,26)(H,20,25)
InChIKeyVXPYRJPHECESIV-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.97
Rot. Bonds6

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

4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 19467838) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID19467838
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(=O)NC)n1
InChIInChI=1S/C18H22N6O3/c1-5-23-10-14(16(22-23)18(26)19-4)20-17(25)15-7-6-13(27-15)9-24-12(3)8-11(2)21-24/h6-8,10H,5,9H2,1-4H3,(H,19,26)(H,20,25)
InChIKeyVXPYRJPHECESIV-UHFFFAOYSA-N
XLogP1.97
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.97
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-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide (CID 19467838) is 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(=O)NC)n1.
What is the InChIKey of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is VXPYRJPHECESIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-5-23-10-14(16(22-23)18(26)19-4)20-17(25)15-7-6-13(27-15)9-24-12(3)8-11(2)21-24/h6-8,10H,5,9H2,1-4H3,(H,19,26)(H,20,25).
What are the key properties of 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.97, 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-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19467838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).