3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide

C15H16F3N5O2 — CID 122693275

IUPAC3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
SMILESCCN(C)C(=O)Nc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)n(C)n1
InChIInChI=1S/C15H16F3N5O2/c1-4-22(2)15(25)20-12-7-11(23(3)21-12)14(24)19-8-5-9(16)13(18)10(17)6-8/h5-7H,4H2,1-3H3,(H,19,24)(H,20,21,25)
InChIKeyMNSDQTJAXDWAEL-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.57
Rot. Bonds4

About 3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide

3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide (PubChem CID 122693275) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
PubChem CID122693275
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
SMILESCCN(C)C(=O)Nc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)n(C)n1
InChIInChI=1S/C15H16F3N5O2/c1-4-22(2)15(25)20-12-7-11(23(3)21-12)14(24)19-8-5-9(16)13(18)10(17)6-8/h5-7H,4H2,1-3H3,(H,19,24)(H,20,21,25)
InChIKeyMNSDQTJAXDWAEL-UHFFFAOYSA-N
XLogP2.57
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide (CID 122693275) is 3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide is CCN(C)C(=O)Nc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)n(C)n1.
What is the InChIKey of 3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide?
The InChIKey is MNSDQTJAXDWAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-4-22(2)15(25)20-12-7-11(23(3)21-12)14(24)19-8-5-9(16)13(18)10(17)6-8/h5-7H,4H2,1-3H3,(H,19,24)(H,20,21,25).
What are the key properties of 3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide?
3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(methyl)carbamoyl]amino]-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 122693275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).