2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide

C19H15F6N5O — CID 16740879

IUPAC2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide
SMILESO=C(Cn1nc(C2CC2)cc1C(F)F)Nc1cnn(Cc2c(F)cc(F)c(F)c2F)c1
InChIInChI=1S/C19H15F6N5O/c20-12-3-13(21)18(23)17(22)11(12)7-29-6-10(5-26-29)27-16(31)8-30-15(19(24)25)4-14(28-30)9-1-2-9/h3-6,9,19H,1-2,7-8H2,(H,27,31)
InChIKeyJBVZPXHGLQAXRZ-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.14
Rot. Bonds7

About 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide

2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide (PubChem CID 16740879) has the molecular formula C19H15F6N5O and a molecular weight of 443.35 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide
PubChem CID16740879
Molecular FormulaC19H15F6N5O
Molecular Weight443.35 g/mol
Exact Mass443.12
IUPAC Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide
SMILESO=C(Cn1nc(C2CC2)cc1C(F)F)Nc1cnn(Cc2c(F)cc(F)c(F)c2F)c1
InChIInChI=1S/C19H15F6N5O/c20-12-3-13(21)18(23)17(22)11(12)7-29-6-10(5-26-29)27-16(31)8-30-15(19(24)25)4-14(28-30)9-1-2-9/h3-6,9,19H,1-2,7-8H2,(H,27,31)
InChIKeyJBVZPXHGLQAXRZ-UHFFFAOYSA-N
XLogP4.14
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide (CID 16740879) is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide is O=C(Cn1nc(C2CC2)cc1C(F)F)Nc1cnn(Cc2c(F)cc(F)c(F)c2F)c1.
What is the InChIKey of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is JBVZPXHGLQAXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N5O/c20-12-3-13(21)18(23)17(22)11(12)7-29-6-10(5-26-29)27-16(31)8-30-15(19(24)25)4-14(28-30)9-1-2-9/h3-6,9,19H,1-2,7-8H2,(H,27,31).
What are the key properties of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide?
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 443.35 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 16740879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).